{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6169286000000002 3.259015300000001 0.6202276000000001 ] [ 10.629694700000002 -9.652305600000002 -9.417812900000001 ] [ -10.525706500000002 8.763565000000002 10.240616300000001 ] [ 0.9234183000000002 -3.443080600000001 -0.23599330000000004 ] [ -1.7057031000000005 2.2911395000000003 3.5601016000000008 ] [ -0.15685250000000003 -1.1147898000000003 1.6454088000000004 ] [ 0.6168755000000001 1.8066291000000005 -2.2716142000000006 ] [ 0.8352022000000002 -1.9101728000000004 -4.140933800000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.884285796228753e-10 5.2215181204895e-09 9.937141602948942e-10 ] [ 1.703064833458167e-08 -1.546469836913692e-08 -1.508899964744865e-08 ] [ -1.68640408717026e-08 1.404077895786116e-08 1.64072760184434e-08 ] [ 1.479479211478881e-09 -5.516423240850038e-09 -3.781029479254407e-10 ] [ -2.732837628846085e-09 3.670810141891402e-09 5.703911551192675e-09 ] [ -2.513054084140321e-10 -1.786090154666308e-09 2.636235511018584e-09 ] [ 9.883435040443106e-10 2.894538906476946e-09 -3.639527162717296e-09 ] [ 1.338141438480726e-09 -3.060434201848075e-09 -6.634507322640505e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.424938 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.874612435288951e-18 } }