{ "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" [ [ -1.9714032 -0.5414551 -1.1070694 ] [ 1.1536118 -0.1942638 -0.2720824 ] [ -2.8954701 0.0032490999999999996 0.3413687 ] [ 1.6047107 1.9280204 -0.040884 ] [ 0.3067959 -1.3877847 0.5993386 ] [ 2.4322023 -1.9160767 -2.2400773 ] [ -2.0390241 0.4996253 0.5041312 ] [ 1.4085767 1.6086855 2.2152746 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.158536143232828e-09 -8.675067095801333e-10 -1.7737207248964e-09 ] [ 1.848289870666681e-09 -3.112449211920492e-10 -4.359240638026415e-10 ] [ -4.639054538665642e-09 5.205632101529398e-12 5.469329547189558e-10 ] [ 2.571029987869784e-09 3.089029234755333e-09 -6.550338950445598e-11 ] [ 4.915412223870006e-10 -2.2234762193627e-09 9.602463007742724e-10 ] [ 3.896817694221058e-09 -3.069893317691828e-09 -3.588999508413808e-09 ] [ -3.266876769182879e-09 8.004879814152402e-10 8.077072291103807e-10 ] [ 2.256788675936828e-09 2.577398319554606e-09 3.549261202013696e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.325610074190163 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.057610070266248e-18 } }