{ "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" [ [ 1.103512 1.466985 2.426499 ] [ 2.074865 2.595365 4.552024 ] [ 1.591542 3.438653 2.256813 ] [ 3.435088 2.328735 1.940231 ] [ 4.699457 2.544305 3.846061 ] [ 3.437343 0.6039955 3.482177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.103512e-10 1.466985e-10 2.426499e-10 ] [ 2.074865e-10 2.595365e-10 4.552024e-10 ] [ 1.591542e-10 3.438653e-10 2.256813e-10 ] [ 3.435088e-10 2.328735e-10 1.940231e-10 ] [ 4.699457e-10 2.544305e-10 3.846061e-10 ] [ 3.437343e-10 6.039955e-11 3.482177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.7453341 -16.7649621 -1.8632439 ] [ -1.7740052 3.3242964 6.1335719 ] [ 1.6643145 13.3897532 1.2256873 ] [ 7.8015114 3.3894429 -12.7503808 ] [ 6.8143246 5.5372185 4.9201272 ] [ -1.7608111 -8.8757489 2.3342383 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.042027631930501e-08 -2.686043032521808e-08 -2.985245815428213e-09 ] [ -2.842269656617628e-09 5.326109972689605e-09 9.827065500175836e-09 ] [ 2.666525781558441e-09 2.145274953532199e-08 1.963767536471476e-09 ] [ 1.249939917198468e-08 5.430486171916553e-09 -2.04283620240572e-08 ] [ 1.091775156066231e-08 8.871602024961246e-09 7.882912771202166e-09 ] [ -2.821130378065131e-09 -1.422051737967132e-08 3.739862031635937e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.1390599 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.835858245470787e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.696395 0.8663701 2.6347961 ] [ 2.2753839 3.8701136 4.7802859 ] [ 1.6817736 3.1492125 2.470008 ] [ 3.9050374 2.2663932 2.069774 ] [ 4.6811034 2.9148381 4.3472146 ] [ 3.1021137 -0.088889 2.2017264 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.96395e-11 8.663701e-11 2.6347961e-10 ] [ 2.2753839e-10 3.8701136e-10 4.7802859e-10 ] [ 1.6817736e-10 3.1492125e-10 2.470008e-10 ] [ 3.9050374e-10 2.2663932e-10 2.069774e-10 ] [ 4.6811034e-10 2.9148381e-10 4.3472146e-10 ] [ 3.1021137e-10 -8.8889e-12 2.2017264e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.3e-06 5.65e-05 2.75e-05 ] [ -1.15e-05 -1.77e-05 2.58e-05 ] [ -1.4e-05 -1.99e-05 -2.64e-05 ] [ 4.13e-05 3.28e-05 1.17e-05 ] [ -4.13e-05 -2.65e-05 -5.26e-05 ] [ 1.61e-05 -2.52e-05 1.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.490024257344e-14 9.052297907519999e-14 4.4059857072e-14 ] [ -1.84250311392e-14 -2.835852618816e-14 4.133615681664e-14 ] [ -2.24304726912e-14 -3.188331475392e-14 -4.229746278912e-14 ] [ 6.616989443904001e-14 5.255139316223999e-14 1.874546646336e-14 ] [ -6.616989443904001e-14 -4.24576804512e-14 -8.427449025408001e-14 ] [ 2.579504359488e-14 -4.037485084416e-14 2.24304726912e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.238735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.761949818916669e-18 } }