{ "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" [ 5.4726 0 0 ] "si-unit" "m" "si-value" [ 5.4726e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038105 5.56078 0 ] "si-unit" "m" "si-value" [ 3.8105e-12 5.560780000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0300683 -0.0732695 5.55519 ] "si-unit" "m" "si-value" [ -3.00683e-12 -7.32695e-12 5.55519e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0119551 0.065874 -0.0174062 ] [ 1.35048 1.36142 1.35358 ] [ 0.0629681 2.82177 2.8468 ] [ 1.33242 4.00392 4.21267 ] [ 2.75302 -0.0155517 2.72 ] [ 4.0777 1.32793 4.00537 ] [ 2.56601 2.8685 0.00815077 ] [ 4.04738 3.99965 1.27482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.19551e-12 6.587400000000001e-12 -1.74062e-12 ] [ 1.35048e-10 1.36142e-10 1.35358e-10 ] [ 6.296810000000001e-12 2.82177e-10 2.8468e-10 ] [ 1.33242e-10 4.00392e-10 4.21267e-10 ] [ 2.75302e-10 -1.55517e-12 2.72e-10 ] [ 4.0777e-10 1.32793e-10 4.00537e-10 ] [ 2.56601e-10 2.8685e-10 8.15077e-13 ] [ 4.047380000000001e-10 3.99965e-10 1.27482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4272847 -2.9672301 -1.763383 ] [ 0.5193854 2.2532704 2.2888002 ] [ -4.0494784 -4.9082771 -5.8605317 ] [ 0.0522367 10.9863673 -1.7263831 ] [ -3.057238 -4.2615791 -1.4985702 ] [ 1.2223153 3.19575 4.7120563 ] [ 3.7263707 -9.1011014 0.6378433 ] [ 4.013693 4.8027999 3.2101683 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.888938798365542e-09 -4.754026694754046e-09 -2.825251016116166e-09 ] [ 8.321471450648564e-10 3.610137155220664e-09 3.667062170122364e-09 ] [ -6.487979618914591e-09 -7.863926818028024e-09 -9.389606875197281e-09 ] [ 8.369241948774336e-11 1.760210083558162e-08 -2.765970641364229e-09 ] [ -4.89823524782135e-09 -6.827802401709905e-09 -2.40097413906758e-09 ] [ 1.958364996906138e-09 5.1201559359216e-09 7.549546439753353e-09 ] [ 5.970304015974131e-09 -1.458157188661015e-08 1.021937622993921e-09 ] [ 6.430645087668615e-09 7.694933714160578e-09 5.143256599093281e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.782069 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.412484115405244e-18 } }