{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.7943472 1.0769016 -2.1307394 ] [ -0.9251884 -0.3975774 -0.6718816 ] [ -1.0291678 -0.4222091 -2.2363063 ] [ -0.9734157 3.045876 2.9964546 ] [ 0.8843588 -1.4669345 1.1198947 ] [ 0.8582486 -1.8089659 -1.0890103 ] [ -1.0779533 0.1953239 -0.8091961 ] [ -0.5312293 -0.2224146 2.8207844 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.477037754237941e-09 1.725386566422113e-09 -3.41382085169742e-09 ] [ -1.482315224315359e-09 -6.3698921523845e-10 -1.076472991465697e-09 ] [ -1.64890858804017e-09 -6.764535491090093e-10 -3.582957670807751e-09 ] [ -1.559583876859667e-09 4.88003131705582e-09 4.800849505408615e-09 ] [ 1.416898993758743e-09 -2.350288160144938e-09 1.79426910609783e-09 ] [ 1.375065841754331e-09 -2.898282872804431e-09 -1.744786842470394e-09 ] [ -1.727071575574209e-09 3.129433860634771e-10 -1.296475073062539e-09 ] [ -8.511231647439494e-10 -3.563474722445837e-10 4.519394817997356e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.89906 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.271010477829645e-18 } }