{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.92038 8.322682 7.952252 7.683115 7.471606 7.297347 7.14916 7.020251 6.906175 6.803869 6.71113 6.62632 6.54819 6.475763 6.408264 6.345064 6.285649 6.22959 6.176529 6.126161 6.078226 6.0325 5.988788 5.94692 5.904593 5.860975 5.815985 5.769533 5.721521 5.671841 5.620373 5.566983 5.511521 5.453822 5.393695 5.33093 5.265282 5.196475 5.124188 5.048052 4.967633 4.882421 4.791807 4.695059 4.591288 4.479393 4.357992 4.225321 4.079069 3.916136 3.732222 3.521113 3.273346 2.97346 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.92038e-10 8.322682000000001e-10 7.952252e-10 7.683115e-10 7.471606e-10 7.297347000000001e-10 7.14916e-10 7.020251e-10 6.906175000000001e-10 6.803869e-10 6.71113e-10 6.62632e-10 6.54819e-10 6.475763e-10 6.408264e-10 6.345064e-10 6.285649000000001e-10 6.22959e-10 6.176529e-10 6.126161e-10 6.078226e-10 6.0325e-10 5.988787999999999e-10 5.946920000000001e-10 5.904593e-10 5.860975e-10 5.815985000000001e-10 5.769533e-10 5.721521e-10 5.671841e-10 5.620373e-10 5.566983e-10 5.511521000000001e-10 5.453822e-10 5.393695e-10 5.330930000000001e-10 5.265282e-10 5.196475000000001e-10 5.124188e-10 5.048052000000001e-10 4.967633000000001e-10 4.882421e-10 4.791807e-10 4.695059e-10 4.591288e-10 4.479393e-10 4.3579920000000004e-10 4.2253210000000004e-10 4.079069e-10 3.916136e-10 3.732222e-10 3.5211130000000004e-10 3.273346e-10 2.9734600000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.2577 1.50571 1.6701 1.80093 1.89898 1.97082 2.03005 2.0832 2.1326 2.17869 2.22071 2.25846 2.29275 2.32433 2.35351 2.38015 2.40391 2.42452 2.44182 2.45576 2.46637 2.47377 2.47809 2.47949 2.47796 2.47291 2.46347 2.44851 2.42675 2.39699 2.35827 2.30977 2.25073 2.18035 2.09766 2.00144 1.89002 1.76049 1.60559 1.41343 1.17049 0.860424 0.461471 -0.0522419 -0.70487 -1.51551 -2.51755 -3.82115 -5.63696 -8.27581 -12.2213 -18.4009 -29.6861 -53.3116 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0150575525817998e-19 2.41241337958014e-19 2.6757951964433995e-19 2.8854079654696197e-19 3.0425013844333197e-19 3.15760175381988e-19 3.2524986758517e-19 3.3376543639488e-19 3.4168018896684e-19 3.49064621072946e-19 3.5579696728901396e-19 3.6184518408236395e-19 3.6733904776034994e-19 3.7239872157052194e-19 3.7707387298853396e-19 3.8134207154151e-19 3.85148843223894e-19 3.8845092926656794e-19 3.9122269484338795e-19 3.93456129071184e-19 3.9515603847985797e-19 3.96341649189018e-19 3.9703378949490596e-19 3.97258094223666e-19 3.9701296119866395e-19 3.96203861998494e-19 3.9469140725599796e-19 3.92294551011534e-19 3.8880821465595003e-19 3.84040136993166e-19 3.77836509066318e-19 3.7006595239141795e-19 3.60606701544282e-19 3.4933058239418995e-19 3.3608218380764396e-19 3.20666040235296e-19 3.02814588179268e-19 2.8206159423906598e-19 2.57243878178406e-19 2.26456451979462e-19 1.8753317283306598e-19 1.378551228132816e-19 7.39358053468614e-20 -8.37007514957646e-21 -1.12932624400758e-19 -2.4281147105933397e-19 -4.0335597849266996e-19 -6.122157245009099e-19 -9.03140559879264e-19 -1.3259309409423539e-18 -1.9580681297104198e-18 -2.94814920245706e-18 -4.7562375774587395e-18 -8.54145998411544e-18 ] } }