{ "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" [ 5.40836 0 0 ] "si-unit" "m" "si-value" [ 5.40836e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0676972 5.56169 0 ] "si-unit" "m" "si-value" [ 6.76972e-12 5.561689999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0290382 0.0456166 5.46301 ] "si-unit" "m" "si-value" [ 2.90382e-12 4.56166e-12 5.46301e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.160852 -0.0174641 0.0414383 ] [ 1.3693 1.3835 1.35672 ] [ 0.168786 2.76991 2.61562 ] [ 1.32577 4.00891 4.07743 ] [ 2.71647 0.0672876 2.67609 ] [ 4.01486 1.47906 4.19059 ] [ 2.74225 2.69331 -0.0428987 ] [ 4.04746 4.06755 1.1226 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60852e-11 -1.74641e-12 4.14383e-12 ] [ 1.3693e-10 1.3835e-10 1.35672e-10 ] [ 1.68786e-11 2.76991e-10 2.61562e-10 ] [ 1.32577e-10 4.008910000000001e-10 4.07743e-10 ] [ 2.71647e-10 6.728760000000001e-12 2.67609e-10 ] [ 4.01486e-10 1.47906e-10 4.19059e-10 ] [ 2.74225e-10 2.69331e-10 -4.28987e-12 ] [ 4.04746e-10 4.06755e-10 1.1226e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1307251 -0.3025078 -1.5163432 ] [ 0.0573985 -1.2643181 0.4167361 ] [ -4.2351597 0.9524971 0.4727829 ] [ 0.332617 3.0955009 -1.2683127 ] [ 2.7220913 -2.9552985 2.0421831 ] [ 3.1795059 -3.3893832 -3.3820234 ] [ -1.3861497 1.0919952 0.4669433 ] [ 0.4604217 2.7715145 2.7680339 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.811621334697313e-09 -4.846709287627452e-10 -2.429449644164788e-09 ] [ 9.196253552664899e-11 -2.025660917763275e-09 6.676848419642873e-10 ] [ -6.785473912598448e-09 1.526068597572761e-09 7.574817153347585e-10 ] [ 5.32911185471178e-10 4.959539212505971e-09 -2.032060972545452e-09 ] [ 4.361271076474684e-09 -4.734910203195249e-09 3.271938045169685e-09 ] [ 5.09413006064514e-09 -5.430390566712148e-09 -5.418598867121235e-09 ] [ -2.22085666056611e-09 1.749569193880156e-09 7.481256446628522e-10 ] [ 7.376768895265577e-10 4.440455772692192e-09 4.434879236699892e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -324.61833 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.200959032941012e-17 } }