{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.1523575 -37.2022551 -16.7700663 ] [ -7.1435452 -1.1027543 22.5793539 ] [ 5.0380618 28.989166 -23.827418 ] [ -8.2430792 4.7408491 9.3111658 ] [ 4.6917357 -14.7338526 36.22164 ] [ 9.3417949 19.0008972 -29.9565289 ] [ 6.4673896 0.3079497 2.4418535 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.626586983250354e-08 -5.960458336225757e-08 -2.686860815512596e-08 ] [ -1.144522110906806e-08 -1.766807157946669e-09 3.617611293134931e-08 ] [ 8.071864830105567e-09 4.644576402169025e-08 -3.817573205362909e-08 ] [ -1.320686877764277e-08 7.595677590760722e-09 1.491813215715253e-08 ] [ 7.516989249512722e-09 -2.360623417003329e-08 5.803346477503412e-08 ] [ 1.496720538508867e-08 3.044279326806418e-08 -4.799565024389954e-08 ] [ 1.036190041472506e-08 4.933898097223738e-10 3.912280589118653e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6649019 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.22805266249055e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5729363 1.606069 1.5961964 ] [ 2.1426499 2.3451112 4.0716639 ] [ 2.6231753 4.0639311 0.888087 ] [ 1.9745659 4.8443933 3.2155428 ] [ 4.7005007 2.3514837 2.9692936 ] [ 5.1537621 3.9760565 1.0515435 ] [ 4.0413628 4.1977683 4.6823739 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5729363e-10 1.606069e-10 1.5961964e-10 ] [ 2.1426499e-10 2.3451112e-10 4.0716639e-10 ] [ 2.6231753e-10 4.0639311e-10 8.88087e-11 ] [ 1.9745659e-10 4.8443933e-10 3.2155428e-10 ] [ 4.7005007e-10 2.3514837e-10 2.9692936e-10 ] [ 5.1537621e-10 3.9760565e-10 1.0515435e-10 ] [ 4.0413628e-10 4.1977683e-10 4.6823739e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.08e-05 7.9e-06 1.53e-05 ] [ -3.9e-06 1.62e-05 -2.14e-05 ] [ 3.28e-05 -9.3e-06 2e-07 ] [ -8.3e-06 -2.16e-05 2.02e-05 ] [ 1.4e-06 1.94e-05 3.9e-06 ] [ -1.2e-05 -2.5e-06 -1.28e-05 ] [ 8e-07 -1e-05 -5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.730350750464e-14 1.265719530432e-14 2.451330229824e-14 ] [ -6.24848882112e-15 2.595526125696e-14 -3.428657968511999e-14 ] [ 5.255139316223999e-14 -1.490024257344e-14 3.2043532416e-16 ] [ -1.329806595264e-14 -3.460701500928e-14 3.236396774016e-14 ] [ 2.24304726912e-15 3.108222644352e-14 6.24848882112e-15 ] [ -1.92261194496e-14 -4.005441552e-15 -2.050786074624e-14 ] [ 1.28174129664e-15 -1.6021766208e-14 -8.65175375232e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.349567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.90123069740032e-18 } }