{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7483578 -1.2643212 -4.9313478 ] [ -2.8931855 -3.0300851 5.0225048 ] [ 0.8791504 2.5904917 -0.7681129 ] [ -0.2240928 3.9323199 3.0673142 ] [ 3.6212092 -5.2232656 -5.7866737 ] [ 4.1720514 2.352203 3.7357036 ] [ -0.8067749 0.6426572 -0.3393883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.607707854353322e-09 -2.025665867821801e-09 -7.900890154193516e-09 ] [ -4.635394167737558e-09 -4.85473150625443e-09 8.04693976841578e-09 ] [ 1.408554217046968e-09 4.150425238116447e-09 -1.230652530514888e-09 ] [ -3.590362450496102e-10 6.300271009286593e-09 4.914379099887856e-09 ] [ 5.801816719265871e-09 -8.368594028548885e-09 -9.271273314338233e-09 ] [ 6.684363213855909e-09 3.768644653975623e-09 5.985256970158395e-09 ] [ -1.292595883028258e-09 1.02965034102879e-09 -5.437599996330566e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.537698 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.008760661425092e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6659572 1.8921186 2.3200405 ] [ 1.9594786 1.8878458 4.7244398 ] [ 2.341011 4.2897747 2.3246418 ] [ 2.0600279 4.4533657 4.8153596 ] [ 4.0244507 1.139689 1.8949702 ] [ 4.3407519 2.4284122 4.6463045 ] [ 4.6433907 3.55823 2.5013647 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6659572e-10 1.8921186e-10 2.3200405e-10 ] [ 1.9594786e-10 1.8878458e-10 4.7244398e-10 ] [ 2.341011e-10 4.2897747e-10 2.3246418e-10 ] [ 2.0600279e-10 4.4533657e-10 4.8153596e-10 ] [ 4.0244507e-10 1.139689e-10 1.8949702e-10 ] [ 4.3407519e-10 2.4284122e-10 4.646304500000001e-10 ] [ 4.643390700000001e-10 3.55823e-10 2.5013647e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 5.28e-05 4.5e-06 ] [ 1e-07 -1.16e-05 -2.6e-05 ] [ 1.4e-05 2.2e-06 3.27e-05 ] [ -1.61e-05 -3.48e-05 -2.58e-05 ] [ -2.12e-05 -8.98e-05 0.0001136 ] [ 1.15e-05 -4.75e-05 -6.57e-05 ] [ 8.9e-06 0.0001288 -3.33e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-15 8.459492557824e-14 7.2097947936e-15 ] [ 1.6021766208e-16 -1.858524880128e-14 -4.16565921408e-14 ] [ 2.24304726912e-14 3.52478856576e-15 5.239117550016001e-14 ] [ -2.579504359488e-14 -5.575574640383999e-14 -4.133615681664e-14 ] [ -3.396614436096001e-14 -1.4387546054784e-13 1.8200726412288e-13 ] [ 1.84250311392e-14 -7.610338948800001e-14 -1.0526300398656e-13 ] [ 1.425937192512e-14 2.0636034875904e-13 -5.335248147264001e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.9983780561006e-18 } }