{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3894998000000001 -0.055523700000000016 -0.7308991000000001 ] [ -1.9867295000000005 -0.9574710000000002 1.2973145000000001 ] [ 0.6005046000000002 -1.6034863000000004 -0.28357140000000003 ] [ -1.4322655000000002 -1.1531532000000002 2.2223399000000006 ] [ 0.9066730000000002 1.2879481000000002 -1.8001641000000004 ] [ 0.09255130000000002 1.2589980000000003 1.9557179000000005 ] [ 1.7467907000000005 0.7222114000000001 -1.2959656000000002 ] [ -0.31702450000000004 0.5004767000000001 -1.3647722000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.240474733662761e-10 -8.895877404031298e-11 -1.171029450183762e-09 ] [ -3.183091556753674e-09 -1.534037651293997e-09 2.078526961724842e-09 ] [ 9.62114430802856e-10 -2.569068261633096e-09 -4.543314674075252e-10 ] [ -2.294742298878423e-09 -1.847555097240707e-09 3.560581031251011e-09 ] [ 1.452650283310599e-09 2.063520334623781e-09 -2.884180834623474e-09 ] [ 1.482835290846471e-10 2.017137161233959e-09 3.133405496260073e-09 ] [ 2.798667220970868e-09 1.157110220355237e-09 -2.076365785681045e-09 ] [ -5.079292421208097e-10 8.018520679951356e-10 -2.186606111557782e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.326287 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.820112775187098e-18 } }