{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14797 7.602026 7.263672 7.017839 6.824645 6.665474 6.530119 6.412372 6.308174 6.214727 6.130018 6.052551 5.981186 5.915031 5.853377 5.795649 5.741379 5.690174 5.641708 5.595701 5.551917 5.51015 5.470223 5.43198 5.393318 5.353477 5.312383 5.269953 5.226098 5.18072 5.133708 5.084941 5.034282 4.981579 4.926659 4.869328 4.809365 4.746515 4.680488 4.610945 4.537489 4.459655 4.376887 4.288517 4.193731 4.091525 3.980637 3.859453 3.725865 3.577041 3.409052 3.216222 2.989909 2.71599 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.147970000000001e-10 7.602026e-10 7.263672e-10 7.017839e-10 6.824645e-10 6.665474e-10 6.530119e-10 6.412372000000001e-10 6.308174e-10 6.214727000000001e-10 6.130018e-10 6.052551e-10 5.981186000000001e-10 5.915031e-10 5.853377000000001e-10 5.795649e-10 5.741379e-10 5.690174e-10 5.641708000000001e-10 5.595701e-10 5.551917e-10 5.510150000000001e-10 5.470223e-10 5.43198e-10 5.393318e-10 5.353477e-10 5.312383e-10 5.269953e-10 5.226098000000001e-10 5.180720000000001e-10 5.133708000000001e-10 5.084941e-10 5.034282e-10 4.981579e-10 4.926659000000001e-10 4.869328000000001e-10 4.809365e-10 4.746515e-10 4.680488000000001e-10 4.6109450000000005e-10 4.537489e-10 4.4596549999999997e-10 4.376887e-10 4.288517e-10 4.193731e-10 4.091525e-10 3.980637e-10 3.859453e-10 3.725865e-10 3.5770410000000003e-10 3.409052e-10 3.216222e-10 2.989909e-10 2.71599e-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 0 0 0 0.173662 1.06723 2.17438 3.09715 3.67762 3.90864 4.02792 4.13246 4.22386 4.30344 4.3723 4.43138 4.48149 4.52331 4.55745 4.58445 4.60478 4.61886 4.62706 4.62973 4.62687 4.61767 4.60104 4.57568 4.54006 4.49237 4.43043 4.35159 4.25269 4.12983 3.97828 3.79216 3.56418 3.28518 2.94358 2.52453 2.00884 1.37135 0.578624 -0.41454 -1.88332 -5.45152 -11.604 -18.8969 -25.2967 -33.9432 -51.9163 -78.6687 -116.959 -194.668 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 2.78237198613708e-20 1.7098909691038197e-19 3.48374082943692e-19 4.9621813619931e-19 5.892196832731079e-19 6.26233167871776e-19 6.45343930762128e-19 6.620930852939639e-19 6.76736979728724e-19 6.894871013820959e-19 7.005196896838199e-19 7.09985349237492e-19 7.18013856350466e-19 7.24714159033854e-19 7.3018399006233e-19 7.3450986697413e-19 7.37767092071052e-19 7.400229567717239e-19 7.41336741611604e-19 7.41764522772882e-19 7.41306300255558e-19 7.39832297752278e-19 7.37167878009936e-19 7.33104758066112e-19 7.27397804895804e-19 7.19757024528258e-19 7.09833142457262e-19 6.972015818748059e-19 6.81356054964546e-19 6.61671712839222e-19 6.373907259509519e-19 6.075710144389439e-19 5.71044591537012e-19 5.263438634484119e-19 4.71613509630972e-19 4.0447429778320197e-19 3.21851650944456e-19 2.1971449270359e-19 9.27057852671616e-20 -6.6416630185836e-20 -3.01741129834488e-19 -8.73429796378368e-19 -1.8591657660935997e-18 -3.0276171635034594e-18 -4.05297816573078e-18 -5.438300192318879e-18 -8.31790827837342e-18 -1.260411529671558e-17 -1.87388976936006e-17 -3.11892520987512e-17 ] } }