{ "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" [ [ 0.1264391 -0.2028182 -3.1012892 ] [ 1.4472853 2.0739352 -0.6411795 ] [ 0.8563832 -0.2337711 0.722234 ] [ 1.8694557 0.6181777 1.1080229 ] [ 1.0357988 -0.1993401 3.017411 ] [ 0.0412381 -1.8847865 -1.6073812 ] [ -4.6381362 0.259838 -0.418917 ] [ -0.738464 -0.4312351 0.921099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.025777699749933e-10 -3.249505783127386e-10 -4.968813050579535e-09 ] [ 2.318806671287515e-09 3.322810490494173e-09 -1.027282804636234e-09 ] [ 1.372077141485891e-09 -3.745425910386989e-10 1.157146429546867e-09 ] [ 2.995198216161299e-09 9.904298584399161e-10 1.775248385691016e-09 ] [ 1.659532621212695e-09 -3.193780478079341e-10 4.834425359544749e-09 ] [ 6.607071970621248e-11 -3.019760865499459e-09 -2.575308579353449e-09 ] [ -7.431113383726153e-09 4.163063687954304e-10 -6.711790234556736e-10 ] [ -1.183149756102451e-09 -6.909147952883501e-10 1.475763283242259e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -217.19896 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.479910957740744e-17 } }