{ "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" [ "In" "In" "In" "In" "In" "In" "In" "In" ] } "a" { "source-value" [ 9.47315 8.838413 8.445029 8.159214 7.934598 7.74954 7.592171 7.455273 7.334129 7.225483 7.126997 7.036931 6.953959 6.877045 6.805363 6.738247 6.67515 6.615617 6.559268 6.505779 6.454873 6.406313 6.359892 6.31543 6.285161 6.253304 6.219683 6.184092 6.146285 6.105968 6.062783 6.016291 5.965944 5.911043 5.850682 5.783655 5.708303 5.622262 5.521989 5.401826 5.251879 5.05234 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.47315e-10 8.838412999999999e-10 8.445029e-10 8.159214e-10 7.934598e-10 7.74954e-10 7.592171e-10 7.455273000000001e-10 7.334129e-10 7.225483e-10 7.126997e-10 7.036931e-10 6.953959e-10 6.877045e-10 6.805363e-10 6.738247000000001e-10 6.67515e-10 6.615617000000001e-10 6.559268e-10 6.505779000000001e-10 6.454873000000001e-10 6.406313e-10 6.359892e-10 6.31543e-10 6.285161000000001e-10 6.253304e-10 6.219683e-10 6.184092e-10 6.146285e-10 6.105968000000001e-10 6.062783e-10 6.016291e-10 5.965944000000001e-10 5.911043000000001e-10 5.850682e-10 5.783655000000001e-10 5.708303e-10 5.622262000000001e-10 5.521989e-10 5.401826e-10 5.251879e-10 5.052340000000001e-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" [ 0.405919 0.608449 0.786448 0.949589 1.10208 1.24493 1.37968 1.50635 1.62534 1.73688 1.84122 1.93857 2.02865 2.11144 2.18718 2.25575 2.31675 2.37006 2.41553 2.45304 2.48241 2.50348 2.51645 2.52083 2.51863 2.5112 2.49707 2.47426 2.44026 2.39141 2.3227 2.22709 2.09443 1.90962 1.64949 1.27728 0.730986 -0.0988836 -1.4234 -3.69312 -8.01891 -17.8703 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.503539317385152e-20 9.748427627491393e-20 1.2600285990749184e-19 1.5214092951688512e-19 1.765726810251264e-19 1.9945977405325443e-19 2.210491040185344e-19 2.41343875274208e-19 2.6040817488510723e-19 2.782788529135104e-19 2.9499596377493764e-19 3.105931531784256e-19 3.25025560178592e-19 3.382899804221952e-19 3.5042486614813446e-19 3.6141099123696e-19 3.7118426862384e-19 3.797254721893248e-19 3.870105692841024e-19 3.9302033378872323e-19 3.977259265240128e-19 4.0110171266403846e-19 4.03179735741216e-19 4.0388148910112643e-19 4.0352901024455044e-19 4.0233859301529606e-19 4.0007471745010563e-19 3.964201525780608e-19 3.909727520673408e-19 3.8314611927473285e-19 3.7213756371321606e-19 3.5681915304174722e-19 3.355646779902144e-19 3.059548518612096e-19 2.642774314243392e-19 2.0464281542154241e-19 1.171168679332109e-19 -1.584289921005389e-20 -2.2805382020467203e-19 -5.917030521808896e-19 -1.284771012629933e-18 -2.863137686668224e-18 ] } }