{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Pd" "Pd" ] } "a" { "source-value" [ 4.63023 4.319987 4.127712 3.988013 3.878227 3.787775 3.710857 3.643945 3.584733 3.53163 3.483492 3.439471 3.398916 3.361322 3.326286 3.293482 3.262641 3.233543 3.206001 3.179857 3.154976 3.131241 3.108552 3.08682 3.072025 3.056455 3.040022 3.022626 3.004147 2.984441 2.963334 2.94061 2.916002 2.889168 2.859665 2.826904 2.790075 2.74802 2.69901 2.640278 2.566989 2.46946 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.6302300000000005e-10 4.3199870000000006e-10 4.127712e-10 3.988013e-10 3.878227e-10 3.787775e-10 3.710857e-10 3.643945e-10 3.584733e-10 3.5316299999999997e-10 3.483492e-10 3.4394710000000004e-10 3.398916e-10 3.361322e-10 3.3262860000000004e-10 3.293482e-10 3.262641e-10 3.233543e-10 3.2060010000000004e-10 3.1798570000000003e-10 3.154976e-10 3.131241e-10 3.108552e-10 3.08682e-10 3.072025e-10 3.0564550000000004e-10 3.040022e-10 3.022626e-10 3.004147e-10 2.984441e-10 2.9633340000000005e-10 2.94061e-10 2.916002e-10 2.8891680000000004e-10 2.859665e-10 2.826904e-10 2.790075e-10 2.74802e-10 2.69901e-10 2.640278e-10 2.566989e-10 2.4694600000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.740265 1.15883 1.50675 1.80624 2.06861 2.30081 2.50763 2.69331 2.86073 3.00989 3.14276 3.26108 3.36607 3.45871 3.53982 3.61014 3.6703 3.72085 3.76233 3.79519 3.81993 3.8371 3.84722 3.8506 3.84889 3.84315 3.83237 3.81535 3.79066 3.7564 3.71006 3.64808 3.56546 3.45529 3.30774 3.10819 2.83387 2.44762 1.88503 1.02453 -0.391135 -3.01448 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.186035276196512e-19 1.8566503334816642e-19 2.4140796233904002e-19 2.8939154995537924e-19 3.314278579553088e-19 3.686303990902848e-19 4.017666159616704e-19 4.315158314566848e-19 4.583394724421185e-19 4.822375389179712e-19 5.035256596785409e-19 5.224826134558464e-19 5.393038657976257e-19 5.541464300127169e-19 5.671416845840257e-19 5.784081905814912e-19 5.88046885132224e-19 5.961458879503681e-19 6.027917165734464e-19 6.080564689493952e-19 6.120202539092544e-19 6.14771191167168e-19 6.163925939074177e-19 6.16934129605248e-19 6.166601574030912e-19 6.157405080227521e-19 6.140133616255296e-19 6.112864570169281e-19 6.073306829401729e-19 6.0184162583731205e-19 5.944171393765248e-19 5.8448684868080645e-19 5.712496654397568e-19 5.535984856084032e-19 5.299583695684992e-19 4.979869351004352e-19 4.540360260386496e-19 3.9215195406024964e-19 3.0201509955066243e-19 1.641478013308224e-19 -6.266673525766081e-20 -4.829729379869184e-19 ] } }