{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.3819 8.753278 8.363683 8.080622 7.85817 7.674895 7.519042 7.383463 7.263485 7.155886 7.058349 6.969151 6.886978 6.810804 6.739813 6.673344 6.610854 6.551895 6.496089 6.443115 6.3927 6.344608 6.298634 6.2546 6.210083 6.164209 6.116891 6.068036 6.01754 5.965289 5.911158 5.855005 5.796675 5.73599 5.672753 5.60674 5.537696 5.465328 5.389302 5.309227 5.224647 5.135026 5.039724 4.937971 4.828831 4.711146 4.583465 4.443929 4.290111 4.118748 3.925319 3.703287 3.442702 3.1273 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.3819e-10 8.753278e-10 8.363683000000001e-10 8.080622e-10 7.858170000000001e-10 7.674895e-10 7.519042000000001e-10 7.383463e-10 7.263485e-10 7.155886e-10 7.058349e-10 6.969151e-10 6.886978e-10 6.810804e-10 6.739813e-10 6.673344000000001e-10 6.610854e-10 6.551895e-10 6.496089e-10 6.443115e-10 6.3927e-10 6.344608e-10 6.298634e-10 6.2546e-10 6.210083e-10 6.164209e-10 6.116891e-10 6.068036e-10 6.01754e-10 5.965289000000001e-10 5.911158e-10 5.855005e-10 5.796675e-10 5.735990000000001e-10 5.672753000000001e-10 5.60674e-10 5.537696e-10 5.465328e-10 5.389302e-10 5.309227e-10 5.224647e-10 5.135026e-10 5.039724e-10 4.937971e-10 4.828831e-10 4.711146000000001e-10 4.5834650000000005e-10 4.443929e-10 4.290111e-10 4.1187480000000003e-10 3.925319e-10 3.703287e-10 3.442702e-10 3.1273e-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" [ 1.88991 2.87153 3.44442 3.87474 4.23048 4.52802 4.77358 4.97173 5.12863 5.25193 5.34886 5.4256 5.48722 5.53784 5.58049 5.61701 5.64841 5.67524 5.6978 5.71622 5.73053 5.74077 5.74691 5.74895 5.74669 5.73929 5.72564 5.70445 5.67419 5.63307 5.57894 5.50929 5.42111 5.31083 5.17419 5.00612 4.80068 4.55086 4.24847 3.88376 3.44508 2.91836 2.28638 1.52463 0.584877 -0.627245 -2.2853 -4.68958 -8.27615 -13.6372 -21.8461 -35.6174 -60.5007 -108.299 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.0279696423629397e-19 4.600698269830019e-19 5.518569241682279e-19 6.20801789082516e-19 6.777976206604319e-19 7.254687842284679e-19 7.64811833652972e-19 7.96558963655682e-19 8.21697115043142e-19 8.414519529403619e-19 8.56981851053724e-19 8.6927695454304e-19 8.79149566961748e-19 8.87259785083056e-19 8.94093068427066e-19 8.99944217494434e-19 9.04975052125194e-19 9.092736920342158e-19 9.128882025205199e-19 9.15839411880348e-19 9.18132126643602e-19 9.19772755516818e-19 9.20756491970094e-19 9.210833360034299e-19 9.207212440841459e-19 9.195356333749858e-19 9.17348662269576e-19 9.139536499821298e-19 9.09105463487646e-19 9.02517313168638e-19 8.93844731048796e-19 8.82685570792986e-19 8.685575772343738e-19 8.508887733146219e-19 8.28996631787646e-19 8.02068849100008e-19 7.691537323311119e-19 7.29128155660524e-19 6.806799364249979e-19 6.22246952406384e-19 5.51962667826072e-19 4.675728201600239e-19 3.6631846124449194e-19 2.44272656149542e-19 9.370762631640179e-20 -1.00495728279333e-19 -3.6614542616801997e-19 -7.51353549927372e-19 -1.3259854149479098e-18 -2.18492031931848e-18 -3.50013109640274e-18 -5.70653660438316e-18 -9.69328078806438e-18 -1.73514127285566e-17 ] } }