{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 10.2515599 -2.173152 2.1910199 ] [ 10.5085208 -6.3561798 -7.2439145 ] [ -7.5540882 11.6861551 3.7234544 ] [ -5.8079774 -0.9519492 3.0913924 ] [ 4.0980533 -8.0711749 5.5175971 ] [ -10.8836679 5.8482049 -3.4563077 ] [ -0.6124005 0.0180959 -3.8232415 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.642480959851079e-08 -3.481773327844762e-09 3.510400859487554e-09 ] [ 1.683650634495051e-08 -1.018372267316122e-08 -1.160603045497412e-08 ] [ -1.210298350550115e-08 1.872328448826269e-08 5.965631588294892e-09 ] [ -9.30540560441477e-09 -1.525190752429263e-09 4.952956628998802e-09 ] [ 6.565805188052289e-09 -1.293144772716778e-08 8.840165076613878e-09 ] [ -1.743755825793143e-08 9.369857164428e-09 -5.537615391231021e-09 ] [ -9.811737636662304e-10 2.899282791233472e-11 -6.125508146972324e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.7476817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.081097786434e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6507403 1.6262976 1.0164669 ] [ 3.8174582 1.0393566 3.6907744 ] [ 1.8319983 0.9398637 2.7403505 ] [ 5.6157474 2.2615103 3.3443492 ] [ 4.2820243 5.743176 1.5861503 ] [ 5.6726499 4.1714444 2.2459339 ] [ 2.2971488 6.6369325 1.9216337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.507403e-11 1.6262976e-10 1.0164669e-10 ] [ 3.8174582e-10 1.0393566e-10 3.6907744e-10 ] [ 1.8319983e-10 9.398637e-11 2.7403505e-10 ] [ 5.6157474e-10 2.2615103e-10 3.3443492e-10 ] [ 4.2820243e-10 5.743176e-10 1.5861503e-10 ] [ 5.6726499e-10 4.1714444e-10 2.2459339e-10 ] [ 2.2971488e-10 6.6369325e-10 1.9216337e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1591619 -0.024495 -0.0505248 ] [ -0.259369 -0.1539159 -0.1080548 ] [ 0.3143459 -0.060013 0.1893176 ] [ -0.0494029 0.3251639 -0.1754574 ] [ -0.4163522 0.3000284 0.0516849 ] [ 0.2818205 -0.3427376 0.2228391 ] [ 0.2881196 -0.0440309 -0.1298045 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.550054751021075e-10 -3.9245316326496e-11 -8.094965333059584e-11 ] [ -4.155549479602752e-10 -2.466004565493907e-10 -1.731228743252199e-10 ] [ 5.036376518243347e-10 -9.61514255440704e-11 3.033202326259661e-10 ] [ -7.915217137972032e-11 5.209699985081491e-10 -2.81113744226354e-10 ] [ -6.670697608586459e-10 4.806984880560307e-10 8.280833842838592e-11 ] [ 4.515262163621664e-10 -5.49126169789102e-10 3.570275962201133e-10 ] [ 4.616184871142477e-10 -7.054527857278271e-11 -2.079697351746336e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.244974 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.602731754830386e-18 } }