{ "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" [ 5.45078 0 0 ] "si-unit" "m" "si-value" [ 5.45078e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.124172 5.56718 0 ] "si-unit" "m" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0770044 0.0388551 5.42613 ] "si-unit" "m" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6159256000000001 0.5762398000000001 3.125035800000001 ] [ -2.3452773000000002 -0.9652551000000003 0.47793570000000013 ] [ -0.24454320000000004 -0.22852090000000005 -1.1083866000000002 ] [ 1.5318610000000004 0.5799446000000001 0.12292020000000002 ] [ -3.097268600000001 -0.7311487000000001 -0.23225040000000005 ] [ 2.9296129000000004 -1.1427142000000001 0.4421737000000001 ] [ -0.9740411000000002 0.6734247000000001 -2.1795533000000002 ] [ 2.8155820000000005 1.2380299000000001 -0.6478751000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.868215964722126e-10 9.23237935534468e-10 5.006859297923027e-09 ] [ -3.757548459352948e-09 -1.546509154327967e-09 7.657374047856828e-10 ] [ -3.918013978156186e-10 -3.661308433441748e-10 -1.775831097328002e-09 ] [ 2.45431188051531e-09 9.291736794792079e-10 1.969398706640602e-10 ] [ -4.962371339257948e-09 -1.171429353468313e-09 -3.721061610514484e-10 ] [ 4.693757296374089e-09 -1.830829975496176e-09 7.084403644726332e-10 ] [ -1.560585878118315e-09 1.078945310209254e-09 -3.492029341047489e-09 ] [ 4.511059654345306e-09 1.983542561631362e-09 -1.038010338418462e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.834995 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.74139911954849e-18 } }