{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.16407 -0.271449 1.8027533 ] [ -0.4737092 1.1760132 -1.6555817 ] [ -0.6458895 -0.1861457 -0.5249144 ] [ 0.8580338 -0.2442552 0.470595 ] [ 1.2992213 -0.9740374 0.3058436 ] [ -0.6797836 1.1485808 -0.4308477 ] [ -1.4988898 -1.8178304 -0.9875043 ] [ 0.9769471 1.1691238 1.0196562 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.62869118174656e-10 -4.349092415395392e-10 2.888329190330049e-09 ] [ -7.589658052978713e-10 1.884180854792195e-09 -2.65253429356432e-09 ] [ -1.034829056520202e-09 -2.982382886024506e-10 -8.410055796012595e-10 ] [ 1.374721694216183e-09 -3.913399709488282e-10 7.53976306865376e-10 ] [ 2.081581992105383e-09 -1.560579950064818e-09 4.900154655413069e-10 ] [ -1.089133391123259e-09 1.840229304859761e-09 -6.902941120654521e-10 ] [ -2.401486194715588e-09 -2.912485367459512e-09 -1.582156302399469e-09 ] [ 1.565241803378359e-09 1.873142819180855e-09 1.633669324893769e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.601478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.665291544232555e-18 } }