{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43182e-10 0.0 0.0 ] "source-value" [ 5.43182 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] "source-value" [ -0.00436542 5.42411 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] "source-value" [ 0.250705 -0.013062 5.36378 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.146424162778766e-09 7.660853975477204e-10 -1.018691933595504e-09 ] [ -2.040003425966016e-11 -1.437278039504671e-09 3.134575405628581e-09 ] [ -2.567683500379738e-10 9.725902626379565e-10 -2.046379768481476e-09 ] [ 2.043344925526357e-09 -2.9593820384563e-10 -1.156625722145107e-09 ] [ -1.639191707270343e-10 6.311814852057119e-10 5.963613807058655e-10 ] [ -2.336552860192481e-09 -1.532132182638879e-09 1.951016613834839e-09 ] [ 2.897752712560608e-10 -4.041854220060922e-10 -4.687341219878433e-09 ] [ 2.590944381213498e-09 1.299676702603883e-09 3.227085404148896e-09 ] ] "source-value" [ [ -1.3396926 0.4781529 -0.6358175 ] [ -0.0127327 -0.8970784 1.9564481 ] [ -0.1602622 0.6070431 -1.2772498 ] [ 1.2753556 -0.1847101 -0.721909 ] [ -0.1023103 0.3939525 0.3722195 ] [ -1.4583616 -0.9562817 1.2177288 ] [ 0.1808635 -0.2522727 -2.9256083 ] [ 1.6171403 0.8111944 2.0141883 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.7043848745039e-18 "source-value" -23.120952 } }