{ "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" [ [ 0.0221122 0.00357 0.1110342 ] [ 0.2725629 2.182164 0.260904 ] [ 0.3472204 2.881652 2.59775 ] [ 1.734388 0.2655593 2.566686 ] [ 2.338795 2.363947 0.0295877 ] [ 1.600298 1.908592 1.497057 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.21122e-12 3.57e-13 1.110342e-11 ] [ 2.725629e-11 2.182164e-10 2.60904e-11 ] [ 3.472204e-11 2.881652e-10 2.59775e-10 ] [ 1.734388e-10 2.655593e-11 2.566686e-10 ] [ 2.338795e-10 2.363947e-10 2.95877e-12 ] [ 1.600298e-10 1.908592e-10 1.497057e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6657738 0.1103799 2.5573088 ] [ -10.1774786 0.5581263 -9.2104456 ] [ -6.0817994 8.8443119 6.4998949 ] [ 1.5442386 -8.623917 -0.0233313 ] [ 7.1406727 2.6986919 -7.168819 ] [ 5.9085929 -3.5875931 7.3453922 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.668863859889389e-09 1.768480966432566e-10 4.097260405282579e-09 ] [ -1.630611840595503e-08 8.942169166808741e-10 -1.475676072904811e-08 ] [ -9.74411689135522e-09 1.417014986998814e-08 1.041397973223576e-08 ] [ 2.474143002240872e-09 -1.381703831095538e-08 -3.738086370084419e-11 ] [ 1.144061895098169e-08 4.323781104545064e-09 -1.148571429517525e-08 ] [ 9.466609484198299e-09 -5.747957837119624e-09 1.176861575040585e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5525542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.049834923225856e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.300371 0.0799881 0.4882475 ] [ 0.0433994 2.4061912 0.2006769 ] [ -0.025228 3.1601992 2.4551803 ] [ 1.6305787 -0.340263 2.3171174 ] [ 2.3801065 2.3537154 -0.3628486 ] [ 1.986149 1.9456533 1.9646455 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.00371e-11 7.998810000000001e-12 4.882475e-11 ] [ 4.33994e-12 2.4061912e-10 2.006769e-11 ] [ -2.5228e-12 3.1601992e-10 2.4551803e-10 ] [ 1.6305787e-10 -3.40263e-11 2.3171174e-10 ] [ 2.3801065e-10 2.3537154e-10 -3.628486e-11 ] [ 1.986149e-10 1.9456533e-10 1.9646455e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0041154 -0.0079409 -0.0076497 ] [ -0.0007255 -0.0005005 0.0019823 ] [ 0.0005733 0.0009662 0.00052 ] [ -0.0017851 -0.0006041 -0.0005676 ] [ -0.0007042 -0.0020228 0.001132 ] [ 0.0067569 0.0101021 0.0045832 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.593597719563599e-12 -1.27227244329306e-11 -1.22561705971098e-11 ] [ -1.162379147967e-12 -8.018894053169999e-13 3.1759947415782e-12 ] [ 9.185278642722e-13 1.5480230637708e-12 8.331318496799999e-13 ] [ -2.860045509353399e-12 -9.678749045993999e-13 -9.093954574583999e-13 ] [ -1.1282527856628e-12 -3.240882895255199e-12 1.813663949688e-12 ] [ 1.08257472982746e-11 1.61853485743314e-11 7.3430959489488e-12 ] ] } "relaxed-potential-energy" { "source-value" -19.056915 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.053254392912411e-18 } }