{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.569029 2.409456 2.459016 ] [ 1.280031 0.1374919 2.779238 ] [ 3.588101 1.133333 2.932926 ] [ 4.931515 2.722575 2.426382 ] [ 3.330231 3.38172 3.93095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.569029e-10 2.409456e-10 2.459016e-10 ] [ 1.280031e-10 1.374919e-11 2.779238e-10 ] [ 3.588101e-10 1.133333e-10 2.932926e-10 ] [ 4.931515000000001e-10 2.722575e-10 2.426382e-10 ] [ 3.330231e-10 3.38172e-10 3.93095e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.3532428 -3.1893606 3.3800584 ] [ 4.0387684 4.528969 -0.0909683 ] [ -10.3490964 0.0739413 1.8297775 ] [ 0.6924542 4.484993 0.3611899 ] [ -0.7353691 -5.8985427 -5.4800576 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.017901708042593e-08 -5.109918988620661e-09 5.415450545418655e-09 ] [ 6.470820307305823e-09 7.256208248127955e-09 -1.457472834939206e-10 ] [ -1.658108029848545e-08 1.18467022171559e-10 2.931626731765872e-09 ] [ 1.109433930214767e-09 7.185750929051655e-09 5.7869001344909e-10 ] [ -1.178191179678737e-09 -9.45050721073051e-09 -8.78002016735736e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.529885 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.129032515391261e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2947604 2.3489038 1.8674924 ] [ 1.5319059 0.9380954 3.3957231 ] [ 3.6774915 0.9082609 2.8449204 ] [ 4.3476585 2.9757333 2.4156818 ] [ 2.8470907 2.6135824 4.0046942 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2947604e-10 2.3489038e-10 1.8674924e-10 ] [ 1.5319059e-10 9.380954e-11 3.3957231e-10 ] [ 3.6774915e-10 9.082609e-11 2.8449204e-10 ] [ 4.3476585e-10 2.9757333e-10 2.4156818e-10 ] [ 2.8470907e-10 2.6135824e-10 4.004694200000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.25e-05 -2.08e-05 -3.69e-05 ] [ -3.26e-05 7.3e-06 -1e-05 ] [ 1.82e-05 -1.71e-05 -7.2e-06 ] [ -4.35e-05 1.12e-05 9.1e-06 ] [ 4.54e-05 1.95e-05 4.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.002720776e-14 -3.332527371264e-14 -5.912031730752001e-14 ] [ -5.223095783807999e-14 1.169588933184e-14 -1.6021766208e-14 ] [ 2.915961449856e-14 -2.739722021568e-14 -1.153567166976e-14 ] [ -6.969468300480001e-14 1.794437815296e-14 1.457980724928e-14 ] [ 7.273881858432e-14 3.12424441056e-14 7.209794793600001e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }