{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5621371 3.4421332 0.43688749999999993 ] [ 0.5948053 6.7722323 2.2599091999999996 ] [ 3.139036 -1.6692707 -5.2011522999999995 ] [ -1.9148292 -3.5301723 -0.05275669999999999 ] [ 1.4833539 1.6082809 -5.658563299999999 ] [ -1.0385366 2.7949293 0.5382677999999999 ] [ -3.602559 -7.7784907 1.5500892999999998 ] [ -0.2234074 -1.6396419 6.127318399999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.502819540104311e-09 5.51490533871949e-09 6.999709384197599e-10 ] [ 9.529831455879302e-10 1.085031226168661e-08 3.620773685370831e-09 ] [ 5.029290091049549e-09 -2.674466489326451e-09 -8.333164616280147e-09 ] [ -3.067894577065167e-09 -5.655959526455764e-09 -8.452555133055935e-11 ] [ 2.376594938952501e-09 2.576750057659183e-09 -9.066017826576895e-09 ] [ -1.663919060365121e-09 4.47797038124891e-09 8.6240008488945e-10 ] [ -5.771935804852627e-09 -1.246251594465023e-08 2.483516836612237e-09 ] [ -3.579381131937139e-10 -2.626995918664092e-09 9.81704628867766e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.343247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.618476825135974e-18 } }