{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.38809 7.826057 7.477731 7.224654 7.025766 6.861905 6.722561 6.601344 6.494075 6.397874 6.310669 6.23092 6.157451 6.089347 6.025875 5.966447 5.910577 5.857863 5.807968 5.760606 5.715531 5.672533 5.63143 5.59206 5.552259 5.511244 5.468938 5.425258 5.380111 5.333396 5.284998 5.234794 5.182642 5.128385 5.071847 5.012827 4.951096 4.886395 4.818422 4.746829 4.671209 4.591081 4.505874 4.414899 4.31732 4.212102 4.097946 3.973191 3.835666 3.682456 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.38809e-10 7.826057e-10 7.477731e-10 7.224654000000001e-10 7.025766e-10 6.861905e-10 6.722561e-10 6.601344e-10 6.494075e-10 6.397874e-10 6.310669e-10 6.230920000000001e-10 6.157451000000001e-10 6.089347e-10 6.025875e-10 5.966447e-10 5.910577e-10 5.857863000000001e-10 5.807968e-10 5.760606000000001e-10 5.715531e-10 5.672533e-10 5.63143e-10 5.59206e-10 5.552259000000001e-10 5.511244e-10 5.468938e-10 5.425258000000001e-10 5.380111e-10 5.333396e-10 5.284998e-10 5.234794000000001e-10 5.182642e-10 5.128385e-10 5.071847e-10 5.012827e-10 4.951096e-10 4.886395e-10 4.818422e-10 4.746829000000001e-10 4.671209e-10 4.591081e-10 4.5058740000000004e-10 4.414899e-10 4.31732e-10 4.212102e-10 4.0979460000000006e-10 3.973191e-10 3.835666e-10 3.6824560000000004e-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" [ 0.565134 0.799034 0.984671 1.14562 1.2981 1.44908 1.59404 1.72524 1.83944 1.93764 2.02238 2.09623 2.16128 2.21916 2.27106 2.31773 2.35955 2.39656 2.42855 2.45519 2.47617 2.49124 2.50028 2.50327 2.49999 2.4893 2.4698 2.4399 2.39778 2.3413 2.26796 2.17503 2.05942 1.91748 1.7449 1.53661 1.28604 0.98051 0.60513 0.140654 -0.43866 -1.167 -2.09014 -3.27174 -4.804 -6.82298 -9.53255 -13.2536 -18.523 -26.2707 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.05444489878956e-20 1.280193604571556e-19 1.577616868377414e-19 1.83548559544308e-19 2.0797854885953999e-19 2.32168211679672e-19 2.5539336416613597e-19 2.76413921604216e-19 2.9471077876449597e-19 3.10444153310376e-19 3.2402099810689197e-19 3.3585307254898194e-19 3.4627523155315197e-19 3.55548629910744e-19 3.6386392664120395e-19 3.71341284992082e-19 3.7804158767547e-19 3.83971243397904e-19 3.8909660645007e-19 3.93364805003046e-19 3.96726171581178e-19 3.9914065176861596e-19 4.00589019445752e-19 4.0106807025931797e-19 4.0054255632336594e-19 3.9882982950161996e-19 3.9570558506532e-19 3.9091507692966e-19 3.84166708947252e-19 3.7511761531842e-19 3.63367251884664e-19 3.48478224424902e-19 3.2995546035922792e-19 3.07214165216232e-19 2.7956380086666e-19 2.46192063757074e-19 2.06046323838936e-19 1.5709502114033399e-19 9.695251465324198e-20 2.25352552278636e-20 -7.0281080227044e-20 -1.869740131878e-19 -3.3487734697887594e-19 -5.241905380523159e-19 -7.696856549736e-19 -1.093161913024932e-18 -1.52728288724367e-18 -2.1234608236382398e-18 -2.9677117791581996e-18 -4.20903016988238e-18 ] } }