{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.7370429 0.635835 -0.3439459999999999 ] [ -0.3800999 -1.2176976 0.5100817999999999 ] [ 0.4798175 0.4914835 1.7156421999999998 ] [ -2.3879899 -2.9382495 2.3574774999999994 ] [ 1.6507301 3.3092736 -1.2053376999999998 ] [ -1.5720607 0.7985792 -1.8632453999999998 ] [ -0.7410757 -0.5962835 -2.8536457999999993 ] [ -0.7863642 -0.4829407 1.6829734999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.987402765306633e-09 1.018719971686368e-09 -5.510622400176768e-10 ] [ -6.089871733484179e-10 -1.95096662592427e-09 8.172411346555813e-10 ] [ 7.687523807507041e-10 7.874433732089568e-10 2.748761822497878e-09 ] [ -3.82598158848653e-09 -4.70759465497729e-09 3.777095334562032e-09 ] [ 2.644761173470846e-09 5.302040793750651e-09 -1.931163883108844e-09 ] [ -2.518718900018483e-09 1.279464924097167e-09 -2.985248218693144e-09 ] [ -1.187334160782994e-09 -9.553514830687968e-10 -4.572044584804112e-09 ] [ -1.259894336674095e-09 -7.737562987727867e-10 2.696420795125949e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.73397 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.564995468156858e-18 } }