{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2681782000000004 -1.3307757000000002 0.6439983000000001 ] [ -0.6263642000000001 -0.07766610000000002 -0.5059519000000001 ] [ 0.6898211000000001 -1.6761129000000003 1.2545189000000003 ] [ -0.5851237000000001 2.1068762000000003 0.9753412000000002 ] [ 0.6499667000000001 -0.5938202000000001 0.7090410000000001 ] [ -1.0157899000000001 1.0015964000000002 -1.0634000000000001 ] [ 0.4778815000000001 -1.0395127000000002 -1.7073274000000005 ] [ -1.8585696000000005 1.6094149000000004 -0.30622010000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.634022083848227e-09 -2.132137714068755e-09 1.031799020094945e-09 ] [ -1.003546077346096e-09 -1.244348096487149e-10 -8.106243054293397e-10 ] [ 1.105215238954539e-09 -2.685428902201289e-09 2.009960851931734e-09 ] [ -9.374715124159931e-10 3.375587790559945e-09 1.562668867943017e-09 ] [ 1.041361451038528e-09 -9.514048413987805e-10 1.136008913388653e-09 ] [ -1.62747482942477e-09 1.604734335557445e-09 -1.70375461855872e-09 ] [ 7.656505668128355e-10 -1.665482944964684e-09 -2.73544004433125e-09 ] [ -2.977756761249608e-09 2.578566925947171e-09 -4.906186850390381e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.430865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.234691397052099e-18 } }