{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1482551 0.7517767 -0.7672918 ] [ -0.2386851 -1.5463183 3.0879622 ] [ -0.0828474 1.0150519 -2.0278612 ] [ 1.9754406 -0.379142 -1.1359791 ] [ -0.1638914 0.5220457 0.4639738 ] [ -2.1821265 -1.5938933 1.9203462 ] [ 0.1986552 -0.3471218 -4.5754164 ] [ 2.6417096 1.5776012 3.0342663 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.441884125091333e-09 1.204479062725628e-09 -1.229336993419801e-09 ] [ -3.824156901039534e-10 -2.477475048986602e-09 4.947460883515234e-09 ] [ -1.327361684676516e-10 1.626292436477304e-09 -3.2489918316352e-09 ] [ 3.16500477117494e-09 -6.074524533680278e-10 -1.820039170732349e-09 ] [ -2.625829715935476e-10 8.364094224201736e-10 7.433679811481891e-10 ] [ -3.496152090732201e-09 -2.553698602349152e-09 3.07673381083069e-09 ] [ 3.182807196625968e-10 -5.561504371120212e-10 -7.330625246900396e-09 ] [ 4.232485394933486e-09 2.52759578041036e-09 4.861430567193634e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.76273 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.729821037405082e-18 } }