{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.22443 5.80737 5.548893 5.361096 5.21351 5.091916 4.988515 4.898565 4.818966 4.747579 4.682868 4.623689 4.569172 4.518634 4.471535 4.427436 4.385977 4.346861 4.309836 4.27469 4.241242 4.209336 4.178835 4.14962 4.129732 4.1088 4.086709 4.063324 4.038482 4.011992 3.983617 3.953069 3.919988 3.883915 3.844255 3.800214 3.750704 3.69417 3.628286 3.549332 3.450808 3.3197 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.22443e-10 5.80737e-10 5.548893e-10 5.361096e-10 5.213510000000001e-10 5.091916000000001e-10 4.988515e-10 4.898565e-10 4.818966e-10 4.747579e-10 4.682868000000001e-10 4.623689e-10 4.569172e-10 4.518634e-10 4.4715350000000003e-10 4.427436e-10 4.3859769999999995e-10 4.3468609999999997e-10 4.309836e-10 4.2746899999999996e-10 4.2412419999999997e-10 4.209336000000001e-10 4.1788350000000004e-10 4.14962e-10 4.129732e-10 4.1088e-10 4.086709e-10 4.0633239999999997e-10 4.0384820000000005e-10 4.011992e-10 3.9836170000000003e-10 3.9530690000000005e-10 3.919988e-10 3.883915e-10 3.844255e-10 3.8002140000000003e-10 3.750704e-10 3.6941700000000003e-10 3.6282860000000005e-10 3.549332e-10 3.450808e-10 3.3197000000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.740668 1.1752 1.5417 1.86068 2.14274 2.3944 2.62014 2.82318 3.00602 3.1706 3.31851 3.45105 3.56931 3.67426 3.76669 3.84731 3.91676 3.97559 4.02429 4.06332 4.09308 4.11393 4.12622 4.13025 4.12828 4.12178 4.10966 4.09054 4.06264 4.0236 3.97032 3.89857 3.80254 3.67401 3.50103 3.26568 2.94 2.47802 1.79928 0.750311 -0.998967 -4.30053 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.186680963151512e-19 1.8828779802767998e-19 2.4700757166378e-19 2.98113801935112e-19 3.4330479607371596e-19 3.8362517324496e-19 4.19792708580876e-19 4.523233029576119e-19 4.81617500533668e-19 5.0798612357604e-19 5.31683918169534e-19 5.529191672765699e-19 5.71866508150254e-19 5.88681351924084e-19 6.034902705521459e-19 6.164070185754539e-19 6.27534135298584e-19 6.36959740436406e-19 6.447623406439859e-19 6.510156360464879e-19 6.5578371370927185e-19 6.591242519911619e-19 6.610933270743479e-19 6.6173900425785e-19 6.61423375460952e-19 6.60381960648852e-19 6.58440122568444e-19 6.55376760844236e-19 6.509066880353759e-19 6.4465179045624e-19 6.36115393350288e-19 6.246197760013379e-19 6.092340737850359e-19 5.8864129750823395e-19 5.60926846093302e-19 5.23219619012112e-19 4.71039930396e-19 3.9702257425846796e-19 2.8827643740235197e-19 1.202130752433174e-19 -1.600521585537078e-19 -6.8902086798160195e-19 ] } }