{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9752524 -8.9950925 6.2225297 ] [ 1.4206999 9.9401327 -3.1607034 ] [ -10.5737921 -2.5602155 -9.8335806 ] [ 2.6267215 12.7116175 7.1479366 ] [ 2.2978737 -9.555 -2.9766523 ] [ 1.5480849 -1.6409713 4.3256808 ] [ 4.6556645 0.0995291 -1.7252108 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.16470321545909e-09 -1.441172690543343e-08 9.969591607573637e-09 ] [ 2.276212164952898e-09 1.592584821958958e-08 -5.06400509276307e-09 ] [ -1.694108249581974e-08 -4.101917418309783e-09 -1.575513293607244e-08 ] [ 4.208471776652707e-09 2.036625637105214e-08 1.145225690748064e-08 ] [ 3.681599519691193e-09 -1.5308797611744e-08 -4.769122723310548e-09 ] [ 2.480305433793506e-09 -2.629125852263783e-09 6.93050464680344e-09 ] [ 7.459196816188522e-09 1.594631971092653e-10 -2.764092409711665e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.698591 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.15606219629013e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4162273 2.9096946 3.7056725 ] [ 2.8431519 5.5319988 0.8265553 ] [ 0.9572978 3.9995825 1.5114915 ] [ 2.3068152 5.2891428 3.2415497 ] [ 3.1984175 3.0228641 1.0617472 ] [ 5.0373161 4.724019 1.6900958 ] [ 3.8751733 3.3532311 3.445441 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4162273e-10 2.9096946e-10 3.7056725e-10 ] [ 2.8431519e-10 5.5319988e-10 8.265553000000001e-11 ] [ 9.572978e-11 3.9995825e-10 1.5114915e-10 ] [ 2.3068152e-10 5.2891428e-10 3.2415497e-10 ] [ 3.1984175e-10 3.0228641e-10 1.0617472e-10 ] [ 5.0373161e-10 4.724019e-10 1.6900958e-10 ] [ 3.8751733e-10 3.3532311e-10 3.445441e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.15e-05 1.4e-05 2.12e-05 ] [ -8.4e-06 4.79e-05 -6.91e-05 ] [ 5.7e-06 -3.35e-05 5.24e-05 ] [ -2.17e-05 1.36e-05 -9.8e-06 ] [ -1.87e-05 -1.9e-05 -6.04e-05 ] [ 5.23e-05 4.86e-05 1.86e-05 ] [ 8.22e-05 -7.16e-05 4.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.465991608032e-13 2.24304726912e-14 3.396614436096001e-14 ] [ -1.345828361472e-14 7.674426013632e-14 -1.1071040449728e-13 ] [ 9.13240673856e-15 -5.36729167968e-14 8.395405492992e-14 ] [ -3.476723267136e-14 2.178960204288e-14 -1.570133088384e-14 ] [ -2.996070280896e-14 -3.04413557952e-14 -9.677146789632e-14 ] [ 8.379383726784e-14 7.786578377088e-14 2.980048514688e-14 ] [ 1.3169891822976e-13 -1.1471584604928e-13 7.546251883968001e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.335586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.219426018426779e-18 } }