{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.742286 2.30018 2.898395 ] [ 1.359684 3.93311 2.87757 ] [ 2.145194 3.5026 4.929711 ] [ 3.276834 4.602113 2.280609 ] [ 3.311324 5.492688 4.465054 ] [ 4.684796 3.351118 3.565163 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.742286e-10 2.30018e-10 2.898395e-10 ] [ 1.359684e-10 3.93311e-10 2.87757e-10 ] [ 2.145194e-10 3.5026e-10 4.929711e-10 ] [ 3.276834e-10 4.602113e-10 2.280609e-10 ] [ 3.311324e-10 5.492688e-10 4.465054e-10 ] [ 4.684796000000001e-10 3.351118e-10 3.565163e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7443397 -8.9696026 -1.284 ] [ -12.9092575 2.7566412 -2.1266109 ] [ -0.6884763 -1.2730119 7.1105728 ] [ 6.084936 6.6770673 -7.1708938 ] [ 0.5734051 1.9655631 1.5510791 ] [ 5.195053 -1.1566572 1.9198527 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.794740286073286e-09 -1.437088758358689e-08 -2.0571947811072e-09 ] [ -2.068291055838706e-08 4.416626082574057e-09 -3.407206265518447e-09 ] [ -1.103060631834887e-09 -2.039589904180188e-09 1.139239350065639e-08 ] [ 9.74914219826427e-09 1.069784112356818e-08 -1.148903839659967e-08 ] [ 9.186962454674862e-10 3.149179245527172e-09 2.485102671031506e-09 ] [ 8.323392460416902e-09 -1.85316912411999e-09 3.075943111319756e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1272432 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.302127904659578e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8040616 1.9751025 3.3999422 ] [ 1.2732359 3.7843067 2.5687391 ] [ 1.8077259 3.6182071 5.017061 ] [ 3.2587593 5.1493231 2.1526281 ] [ 3.6262969 5.207738 4.6363859 ] [ 4.7500384 3.4471316 3.2417457 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8040616e-10 1.9751025e-10 3.3999422e-10 ] [ 1.2732359e-10 3.7843067e-10 2.5687391e-10 ] [ 1.8077259e-10 3.6182071e-10 5.017061e-10 ] [ 3.2587593e-10 5.149323100000001e-10 2.1526281e-10 ] [ 3.6262969e-10 5.207738e-10 4.6363859e-10 ] [ 4.750038400000001e-10 3.4471316e-10 3.2417457e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.6e-06 -3.3e-06 6.2e-06 ] [ -1.4e-06 2.1e-06 -5.2e-06 ] [ -3.8e-06 1.3e-06 -4e-07 ] [ -4.9e-06 4.3e-06 -2e-07 ] [ 4.2e-06 -3.3e-06 1.4e-06 ] [ 2.4e-06 -1.1e-06 -1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.76783583488e-15 -5.28718284864e-15 9.93349504896e-15 ] [ -2.24304726912e-15 3.36457090368e-15 -8.33131842816e-15 ] [ -6.08827115904e-15 2.08282960704e-15 -6.408706483200001e-16 ] [ -7.850665441919999e-15 6.889359469440001e-15 -3.2043532416e-16 ] [ 6.72914180736e-15 -5.28718284864e-15 2.24304726912e-15 ] [ 3.84522388992e-15 -1.76239428288e-15 -2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.593993 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.338215438871885e-18 } }