{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39854e-10 0.0 0.0 ] "source-value" [ 5.39854 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] "source-value" [ 0.0197648 5.43736 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] "source-value" [ -0.0299081 -0.213673 5.1785 ] } "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" [ [ 7.801704526564973e-10 7.277363067793675e-09 -1.050538077851821e-09 ] [ -2.257350700902192e-09 2.76773239477646e-09 -1.047731304738673e-08 ] [ -3.378618788291175e-09 2.797931982119581e-09 5.206926937786212e-09 ] [ -9.362963158646362e-10 2.031281496877705e-09 -6.596634430807384e-09 ] [ 7.773537460482998e-09 -8.574127013300944e-09 7.50203180923392e-09 ] [ 2.909677873366884e-09 -3.209217610038411e-09 -3.253400834710212e-09 ] [ -5.573067233972448e-10 -2.401100230367637e-09 4.983859892313779e-09 ] [ -4.333813418268795e-09 -6.898639276427673e-10 3.685067751422239e-09 ] ] "source-value" [ [ 0.4869441 4.5421728 -0.6556943 ] [ -1.4089275 1.7274827 -6.5394245 ] [ -2.108768 1.7463318 3.2499082 ] [ -0.5843902 1.2678262 -4.1172954 ] [ 4.8518605 -5.3515492 4.6824 ] [ 1.8160781 -2.0030361 -2.0306131 ] [ -0.3478435 -1.4986489 3.1106807 ] [ -2.7049536 -0.4305792 2.3000384 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.14864840407526e-18 "source-value" -32.135336 } }