{ "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" [ [ 2.3380803000000006 -1.1760238000000003 1.7058568000000005 ] [ -0.8496661000000002 -0.07141050000000002 -0.6806539000000001 ] [ 1.4525995000000003 -2.3470632000000005 1.8700162000000005 ] [ 0.019291900000000004 2.0590193000000006 0.5576204000000001 ] [ 0.7804615000000003 -0.8415438000000002 1.1208337000000002 ] [ -1.4776173000000001 1.1114757000000002 -1.4128177000000002 ] [ 0.40485110000000013 -1.2630362000000002 -2.3466860000000005 ] [ -2.6680010000000003 2.5285825000000006 -0.8141695000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.746017594213051e-09 -1.884197837864376e-09 2.733083883392702e-09 ] [ -1.361315160906315e-09 -1.144122335796384e-10 -1.090527765436342e-09 ] [ 2.32732095828577e-09 -3.760409786580035e-09 2.996096236157257e-09 ] [ 3.090903115081153e-11 3.298912584235982e-09 8.934063681611445e-10 ] [ 1.2504371687345e-09 -1.348301801739191e-09 1.795773549944761e-09 ] [ -2.36740389254962e-09 1.780780381127315e-09 -2.263583488392428e-09 ] [ 6.486429673251631e-10 -2.023607070864073e-09 -3.75980544555867e-09 ] [ -4.274608826471021e-09 4.051235765264017e-09 -1.304443338268426e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.539747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.854312837334694e-18 } }