{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7499514 -11.3311021 -11.7798447 ] [ -15.3234654 -13.1990822 22.454306 ] [ 1.7503994 26.1891463 -12.5224418 ] [ 12.2415276 -0.1199989 -1.4412599 ] [ 1.6309597 11.0626665 5.8902977 ] [ -12.9983342 -7.7421304 18.2974862 ] [ 15.4488643 -4.8594991 -20.8985435 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.405907841416229e-09 -1.815442687251778e-08 -1.887339177499479e-08 ] [ -2.455089801351772e-08 -2.114726091685743e-08 3.597576410948917e-08 ] [ 2.804448995742348e-09 4.195963792057083e-08 -2.006316348728867e-08 ] [ 1.961308932359793e-08 -1.922594321017171e-10 -2.309152916276546e-09 ] [ 2.613085500806982e-09 1.772434563000736e-08 9.437297264492012e-09 ] [ -2.082562716458507e-08 -1.240426032206495e-08 2.931580460905064e-08 ] [ 2.475180919937176e-08 -7.785775846818642e-09 -3.34831578044718e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1542544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.306455575973553e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.906544 1.0895368 1.5803742 ] [ 1.9792625 2.180201 3.8448282 ] [ 2.6171739 3.7623935 1.8060231 ] [ 5.0366504 2.8552527 2.0809366 ] [ 4.5102473 2.5924312 4.6203085 ] [ 3.3110444 0.2116237 5.0356303 ] [ 4.9427616 0.3239256 3.0164091 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.906544e-10 1.0895368e-10 1.5803742e-10 ] [ 1.9792625e-10 2.180201e-10 3.8448282e-10 ] [ 2.6171739e-10 3.7623935e-10 1.8060231e-10 ] [ 5.0366504e-10 2.8552527e-10 2.0809366e-10 ] [ 4.5102473e-10 2.5924312e-10 4.6203085e-10 ] [ 3.3110444e-10 2.116237e-11 5.0356303e-10 ] [ 4.9427616e-10 3.239256e-11 3.0164091e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.33e-05 -1.08e-05 -4.82e-05 ] [ 5.1e-06 2.79e-05 -1.82e-05 ] [ -3.29e-05 3.3e-06 -1.57e-05 ] [ 3.5e-06 1.6e-06 4.69e-05 ] [ 2.64e-05 -1e-05 9.8e-06 ] [ 2.62e-05 -4e-07 2.9e-06 ] [ 5e-06 -1.16e-05 2.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.335248147264001e-14 -1.730350750464e-14 -7.722491312256001e-14 ] [ 8.17110076608e-15 4.470072772032e-14 -2.915961449856e-14 ] [ -5.271161082432e-14 5.28718284864e-15 -2.515417294656e-14 ] [ 5.6076181728e-15 2.56348259328e-15 7.514208351552e-14 ] [ 4.229746278912e-14 -1.6021766208e-14 1.570133088384e-14 ] [ 4.197702746496e-14 -6.408706483200001e-16 4.646312200320001e-15 ] [ 8.010883104e-15 -1.858524880128e-14 3.572853864384e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.71534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.799616330232307e-18 } }