{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.498941 0.2917441 1.412179 ] [ 0.7321813 1.344758 2.47059 ] [ 0.7391833 1.573141 0.3619984 ] [ 0.011627 2.973124 1.6693 ] [ 2.701347 1.320916 0.403113 ] [ 2.713757 1.097636 2.168947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.498941e-10 2.917441e-11 1.412179e-10 ] [ 7.321813e-11 1.344758e-10 2.47059e-10 ] [ 7.391833000000001e-11 1.573141e-10 3.619984e-11 ] [ 1.1627e-12 2.973124e-10 1.6693e-10 ] [ 2.701347e-10 1.320916e-10 4.03113e-11 ] [ 2.713757e-10 1.097636e-10 2.168947e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -325.105617 -472.0854741 183.039326 ] [ -86.3563759 49.0831703 226.6292195 ] [ -58.0372974 64.3389744 -139.7226123 ] [ -5.3448945 23.2427419 -33.1963597 ] [ 357.8281975 278.3256534 -121.2804265 ] [ 117.0159873 57.0949341 -115.469147 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.20876618848159e-07 -7.563643096223039e-07 2.932613288041896e-07 ] [ -1.383581665239966e-07 7.863990792940492e-08 3.631000370730515e-07 ] [ -9.298600102869663e-08 1.030824005899297e-07 -2.238603028241625e-07 ] [ -8.563465008542506e-09 3.723897767546857e-08 -5.31864314070073e-08 ] [ 5.733039722975051e-07 4.459268548463641e-07 -1.943126638989528e-07 ] [ 1.874802791118897e-07 9.14761685811367e-08 -1.850019677471185e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 277.47125 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.44557949694152e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.0538601 -0.3330162 1.2706174 ] [ 0.6312107 1.3824106 3.5117529 ] [ 0.4744692 1.7472794 -0.5950598 ] [ -0.394298 3.1788493 1.6378892 ] [ 3.2617778 1.4388314 -0.0876244 ] [ 3.3700168 1.1869647 2.7485522 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0538601e-10 -3.330162e-11 1.2706174e-10 ] [ 6.312107000000001e-11 1.3824106e-10 3.5117529e-10 ] [ 4.744692e-11 1.7472794e-10 -5.950598e-11 ] [ -3.94298e-11 3.1788493e-10 1.6378892e-10 ] [ 3.2617778e-10 1.4388314e-10 -8.76244e-12 ] [ 3.3700168e-10 1.1869647e-10 2.7485522e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.2e-06 -1.76e-05 -1.12e-05 ] [ 1.8e-06 8.88e-05 -8e-06 ] [ 1.02e-05 1.18e-05 -4.46e-05 ] [ -3.03e-05 -4.56e-05 3.47e-05 ] [ -1.93e-05 1.73e-05 -1.53e-05 ] [ 3.23e-05 -5.48e-05 4.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.33131842816e-15 -2.819830852608e-14 -1.794437815296e-14 ] [ 2.88391791744e-15 1.4227328392704e-13 -1.28174129664e-14 ] [ 1.634220153216e-14 1.890568412544e-14 -7.145707728768e-14 ] [ -4.854595161024e-14 -7.305925390848e-14 5.559552874176001e-14 ] [ -3.092200878144e-14 2.771765553984e-14 -2.451330229824e-14 ] [ 5.175030485184e-14 -8.779927881984e-14 7.113664196352e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.539142 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.489645001969136e-18 } }