{ "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" [ "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 5.88012 5.48613 5.241951 5.064542 4.92512 4.810252 4.712571 4.627596 4.5524 4.484962 4.423831 4.367926 4.316424 4.268682 4.224188 4.182528 4.143363 4.10641 4.071433 4.038232 4.006634 3.976493 3.947678 3.92008 3.892179 3.863427 3.833771 3.80315 3.771502 3.738754 3.704827 3.669634 3.633075 3.59504 3.555406 3.514033 3.470759 3.425403 3.377753 3.327566 3.274556 3.218385 3.158654 3.094881 3.026477 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.88012e-10 5.486130000000001e-10 5.241951e-10 5.064542e-10 4.92512e-10 4.810252000000001e-10 4.712571e-10 4.627596e-10 4.5523999999999997e-10 4.4849620000000003e-10 4.423831e-10 4.367926e-10 4.3164239999999996e-10 4.2686820000000004e-10 4.224188e-10 4.182528e-10 4.143363e-10 4.1064100000000005e-10 4.071433e-10 4.038232e-10 4.0066340000000004e-10 3.976493e-10 3.947678e-10 3.92008e-10 3.8921790000000003e-10 3.863427e-10 3.8337710000000003e-10 3.80315e-10 3.771502e-10 3.7387540000000004e-10 3.704827e-10 3.669634e-10 3.633075e-10 3.5950400000000003e-10 3.5554060000000003e-10 3.514033e-10 3.4707590000000004e-10 3.4254030000000003e-10 3.377753e-10 3.327566e-10 3.274556e-10 3.2183850000000004e-10 3.158654e-10 3.094881e-10 3.026477e-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" [ 1.02617 1.71921 2.27769 2.76246 3.2035 3.59722 3.93433 4.21793 4.45708 4.66044 4.83478 4.98531 5.11608 5.23042 5.33105 5.42004 5.49882 5.56813 5.62809 5.67829 5.71812 5.74691 5.76423 5.77 5.76376 5.74367 5.70772 5.65398 5.57579 5.46634 5.32064 5.13261 4.8946 4.59674 4.22608 3.76541 3.19188 2.47557 1.57756 0.446785 -0.986407 -2.82125 -5.20261 -8.33656 -12.4977 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.64410559651178e-19 2.75447809093914e-19 3.64926169749546e-19 4.42594886435964e-19 5.132572847019e-19 5.76338183135748e-19 6.30349159644522e-19 6.75786888984762e-19 7.14102943186872e-19 7.46684807215896e-19 7.74617154653052e-19 7.98734719524654e-19 8.19686383367472e-19 8.380056710006279e-19 8.5412837446857e-19 8.68386144334536e-19 8.81008091857188e-19 8.92112778107442e-19 9.01719429204906e-19 9.097623559075859e-19 9.161438254408078e-19 9.20756491970094e-19 9.23531461900182e-19 9.24455917818e-19 9.23456159598384e-19 9.202373867406779e-19 9.14477561741448e-19 9.05867464510332e-19 8.933400454090859e-19 8.758042221499558e-19 8.524605085925759e-19 8.223347813434739e-19 7.842013752776399e-19 7.364789420573159e-19 6.770926629414719e-19 6.03285191942994e-19 5.113955554531919e-19 3.9663004098313793e-19 2.52752977073304e-19 7.1582848742169e-20 -1.580398247014038e-19 -4.5201408286725e-19 -8.33550017781474e-19 -1.3356641639939039e-18 -2.0023522918741798e-18 ] } }