{ "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" [ 5.36644 0 0 ] "si-unit" "m" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.227231 5.37948 0 ] "si-unit" "m" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0350261 -0.0899265 5.39939 ] "si-unit" "m" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3766745 2.7306875 -0.8733537 ] [ -1.3061 0.8679469 -0.2211686 ] [ 2.4310599 2.6970679 -2.5348202 ] [ -1.6940268 0.1118696 -2.1726164 ] [ 1.2080597 -0.3230135 0.4448981 ] [ -2.2847895 -2.3577758 3.3016817 ] [ 3.3831729 -1.6449658 1.4371571 ] [ -2.1140508 -2.0818169 0.6182219 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.034990825236329e-10 4.375043707255875e-09 -1.399266891357446e-09 ] [ -2.0926029016674e-09 1.390604242732734e-09 -3.543511630944924e-10 ] [ 3.894987367634377e-09 4.321179169691448e-09 -4.061229695831206e-09 ] [ -2.714130156329791e-09 1.792348591749264e-10 -3.480915230725197e-09 ] [ 1.935525023817049e-09 -5.17524682166559e-10 7.128053403309954e-10 ] [ -3.660636350508543e-09 -3.777573294970657e-09 5.289877272645397e-09 ] [ 5.420440569162018e-09 -2.635525768489117e-09 2.302579525007201e-09 ] [ -3.387082794849006e-09 -3.335438393446315e-09 9.905006828070845e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.73888 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.405564519332992e-18 } }