{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9989817 0.0409797 -2.3074079 ] [ 0.6903327 1.8710063 -0.5328177 ] [ 0.7680098 -0.1122344 0.5690822 ] [ 0.7404097 -0.0533357 0.6440037 ] [ 0.5033696 -0.5113801 2.1422536 ] [ -0.4147484 -1.7274113 -1.1267342 ] [ -2.2260991 0.4877956 -0.1762112 ] [ -1.0602559 0.0045799 0.7878315 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.600545124347039e-09 6.565671726739776e-11 -3.696874992029224e-09 ] [ 1.10603491251374e-09 2.997682551229511e-09 -8.53668062088428e-10 ] [ 1.230487346105284e-09 -1.798193317295155e-10 9.117701961534297e-10 ] [ 1.186267111153542e-09 -8.545321159400256e-11 1.031807671848697e-09 ] [ 8.064870047414476e-10 -8.19321240562366e-10 3.432268633744635e-09 ] [ -6.645001899942068e-10 -2.767617999365735e-09 -1.805227193095791e-09 ] [ -3.566603933603921e-09 7.815347060491085e-10 -2.823214649631129e-10 ] [ -1.698717215045263e-09 7.33780870560192e-12 1.262245210429795e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.484896 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.083130455471943e-18 } }