{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -23.9946645 -17.0515709 -7.4496825 ] [ -11.8028116 -10.6475161 35.0088533 ] [ -30.1382731 28.2069439 -10.1462861 ] [ 5.3637968 -17.6206845 -14.281476 ] [ 34.2227841 -16.6235477 18.7837964 ] [ 12.7441647 8.6906983 -31.1113519 ] [ 13.6050036 25.045677 9.1961468 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.844369048583973e-08 -2.731962824389362e-08 -1.19357071338829e-08 ] [ -1.891018880522704e-08 -1.70592013650116e-08 5.609036627827692e-08 ] [ -4.828683655210554e-08 4.519250606079717e-08 -1.625614237736801e-08 ] [ 8.593749831681853e-09 -2.823144874839294e-08 -2.28814469577163e-08 ] [ 5.483094458370597e-08 -2.663385947969361e-08 3.009495944194721e-08 ] [ 2.041840273396465e-08 1.39240336346863e-08 -4.984588065566166e-08 ] [ 2.179761869381983e-08 4.012759814150829e-08 1.473385140440473e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 21.311844 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.414533820293676e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.931573 3.0042343 3.2079293 ] [ 2.4304268 1.6907464 4.4864268 ] [ 2.3360292 4.5250939 2.0642007 ] [ 4.9554505 1.8911104 1.7319984 ] [ 4.5592943 2.576765 3.9605762 ] [ 3.4566025 3.2046249 0.453517 ] [ 4.0482126 4.8651371 3.6585266 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.31573e-11 3.0042343e-10 3.2079293e-10 ] [ 2.4304268e-10 1.6907464e-10 4.486426800000001e-10 ] [ 2.3360292e-10 4.5250939e-10 2.0642007e-10 ] [ 4.955450500000001e-10 1.8911104e-10 1.7319984e-10 ] [ 4.5592943e-10 2.576765e-10 3.9605762e-10 ] [ 3.4566025e-10 3.2046249e-10 4.53517e-11 ] [ 4.0482126e-10 4.8651371e-10 3.6585266e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 1.7e-05 1.4e-06 ] [ 1.86e-05 3.2e-06 -2.2e-05 ] [ -7.1e-06 -4.5e-06 -1.69e-05 ] [ -2.07e-05 1.56e-05 -5.2e-06 ] [ 7.8e-06 8.9e-06 2.37e-05 ] [ 3.7e-06 -7.5e-06 2.11e-05 ] [ -6.7e-06 -3.26e-05 -2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.2097947936e-15 2.72370025536e-14 2.24304726912e-15 ] [ 2.980048514688e-14 5.126965186560001e-15 -3.52478856576e-14 ] [ -1.137545400768e-14 -7.2097947936e-15 -2.707678489152e-14 ] [ -3.316505605055999e-14 2.499395528448e-14 -8.33131842816e-15 ] [ 1.249697764224e-14 1.425937192512e-14 3.797158591296e-14 ] [ 5.928053496960001e-15 -1.2016324656e-14 3.380592669888e-14 ] [ -1.073458335936e-14 -5.223095783807999e-14 -3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }