{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45158e-10 0.0 0.0 ] "source-value" [ 5.45158 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] "source-value" [ -0.0257054 5.42445 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] "source-value" [ -0.0529382 0.0294769 5.34001 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.265714403466814e-09 -1.688419865685719e-09 8.50013705499344e-09 ] [ -3.577124145731418e-09 5.799705210697319e-09 -7.978173867198056e-09 ] [ -2.733541625253264e-09 -8.551713844117249e-10 -1.991348205910238e-09 ] [ 4.064489931577246e-09 -4.620826376812934e-10 1.871064956321339e-09 ] [ 6.830478196884303e-09 -5.702919643646737e-09 3.122319715785433e-09 ] [ -3.563406469721791e-09 5.229694508438427e-09 -3.207059638347855e-09 ] [ -8.634593960058246e-09 -9.72258307663893e-09 -7.025857867955029e-09 ] [ 6.347983668836356e-09 7.401776888928656e-09 6.708917692093304e-09 ] ] "source-value" [ [ 0.7899968 -1.0538288 5.3053683 ] [ -2.2326653 3.6198913 -4.9795845 ] [ -1.7061425 -0.533756 -1.2429018 ] [ 2.5368551 -0.2884093 1.1678269 ] [ 4.2632492 -3.5594825 1.9487987 ] [ -2.2241034 3.2641186 -2.0016892 ] [ -5.3892897 -6.0683591 -4.3851956 ] [ 3.9620998 4.6198258 4.1873771 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.663583323688179e-18 "source-value" -35.349307 } }