{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 8.91285 8.315656 7.945539 7.67663 7.465299 7.291187 7.143126 7.014325 6.900346 6.798126 6.705465 6.620727 6.542662 6.470297 6.402855 6.339708 6.280343 6.224332 6.171315 6.12099 6.073096 6.027408 5.983733 5.9419 5.913421 5.883449 5.851817 5.818331 5.78276 5.744827 5.704197 5.660455 5.613085 5.561432 5.504641 5.441578 5.370684 5.289732 5.19539 5.082335 4.941257 4.75352 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.912850000000001e-10 8.315656000000001e-10 7.945539e-10 7.67663e-10 7.465299e-10 7.291187000000001e-10 7.143126e-10 7.014325000000001e-10 6.900346e-10 6.798126000000001e-10 6.705465e-10 6.620727e-10 6.542662e-10 6.470297000000001e-10 6.402855e-10 6.339708e-10 6.280343000000001e-10 6.224332000000001e-10 6.171315e-10 6.12099e-10 6.073096e-10 6.027408000000001e-10 5.983733e-10 5.941900000000001e-10 5.913421e-10 5.883449e-10 5.851817e-10 5.818331e-10 5.78276e-10 5.744827e-10 5.704197e-10 5.660455e-10 5.613085e-10 5.561432e-10 5.504641e-10 5.441578e-10 5.370684e-10 5.289732e-10 5.19539e-10 5.082335e-10 4.941257e-10 4.75352e-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" [ 0.401282 0.579458 0.722379 0.84596 0.959251 1.06828 1.17376 1.27222 1.36035 1.43728 1.50383 1.5614 1.61139 1.65493 1.69297 1.72622 1.7552 1.78024 1.80151 1.81905 1.8328 1.84268 1.84863 1.85061 1.84963 1.84637 1.84026 1.83058 1.81645 1.79669 1.76981 1.73379 1.68593 1.6225 1.53834 1.42603 1.27468 1.06775 0.777548 0.348458 -0.336994 -1.58228 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.429246387478657e-20 9.283940603355265e-20 1.1573787451568833e-19 1.3553773341319681e-19 1.5368895256790208e-19 1.7115732404682238e-19 1.880570830430208e-19 2.038321140514176e-19 2.17952096610528e-19 2.302776413543424e-19 2.409401267657664e-19 2.50163857571712e-19 2.581731384990912e-19 2.6514901550605444e-19 2.712436953715776e-19 2.7657093263573764e-19 2.8121404048281603e-19 2.8522589074129924e-19 2.8863372041374083e-19 2.91443938206624e-19 2.93646931060224e-19 2.9522988156157445e-19 2.961831766509504e-19 2.9650040762186885e-19 2.9634339431303046e-19 2.958210847346496e-19 2.948421548193408e-19 2.932912478504064e-19 2.91027372285216e-19 2.878614712825152e-19 2.8355482052580482e-19 2.7778378033768323e-19 2.701157630305344e-19 2.599531567248e-19 2.464692382841472e-19 2.284751926559424e-19 2.0422624950013442e-19 1.7107240868592e-19 1.2457692271497985e-19 5.582912609307265e-20 -5.3992390814987525e-20 -2.535092023559424e-19 ] } }