{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0531178 0.3904629 0.2533165 ] [ -0.6785608 0.7028634 -2.2422738 ] [ -1.3029709 0.9190708 0.0992668 ] [ 1.3698615 -0.8260844 1.2242076 ] [ 1.6909879 -1.1284063 0.7867156 ] [ 0.7035006 -0.5258724 0.1896264 ] [ -1.2846371 0.7447765 -0.2440605 ] [ 0.5549367 -0.2768104 -0.0667985 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.687280732009485e-09 6.255905348238786e-10 4.05857777306661e-10 ] [ -1.087174258508347e-09 1.126111316373796e-09 -3.592518689390389e-09 ] [ -2.08758953076195e-09 1.472513760751687e-09 1.590429474919512e-10 ] [ 2.194760087116191e-09 -1.323533123391909e-09 1.961396811885218e-09 ] [ 2.709261301756729e-09 -1.807906207518394e-09 1.26045735192329e-09 ] [ 1.12713222332498e-09 -8.425404717455015e-10 3.038149872695376e-10 ] [ -2.058215544789521e-09 1.193263505852301e-09 -3.91028030382357e-10 ] [ 8.891066140890676e-10 -4.434991549281936e-10 -1.07022995886249e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -32.647261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.230667873829947e-18 } }