{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9064623 -7.1656787 -5.8398155 ] [ -6.6446736 8.3001053 3.9290162 ] [ -1.0247115 -3.5421619 3.9294508 ] [ -0.3056195 0.3269536 -3.1377572 ] [ 0.7293345 1.1778847 0.672856 ] [ 2.5438227 -0.8894486 -1.3808817 ] [ 1.7953852 1.7923456 1.8271314 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.656665946296596e-09 -1.148068288530454e-08 -9.356415863885463e-09 ] [ -1.064594069476697e-08 1.329823466183817e-08 6.294977898384457e-09 ] [ -1.641768808364899e-09 -5.675168983268507e-09 6.295674204343857e-09 ] [ -4.896564177605856e-10 5.238374140063949e-10 -5.02724122758687e-09 ] [ 1.168522684642858e-09 1.887179328338021e-09 1.078034152365005e-09 ] [ 4.075653257400332e-09 -1.425053752323291e-09 -2.212416375830559e-09 ] [ 2.876524192770332e-09 2.871654216713748e-09 2.927387212209573e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.279135 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.768422612464701e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5523145 1.6765493 1.6495048 ] [ 1.4421603 2.8982662 3.3382257 ] [ 2.5665235 1.6243043 4.9189375 ] [ 3.2395438 3.7914468 0.8745836 ] [ 4.3848183 3.1644629 4.6854199 ] [ 4.2362005 1.2635551 3.2371411 ] [ 3.1878572 4.4868985 3.1282335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5523145e-10 1.6765493e-10 1.6495048e-10 ] [ 1.4421603e-10 2.8982662e-10 3.3382257e-10 ] [ 2.5665235e-10 1.6243043e-10 4.9189375e-10 ] [ 3.2395438e-10 3.7914468e-10 8.745836000000001e-11 ] [ 4.3848183e-10 3.1644629e-10 4.685419900000001e-10 ] [ 4.2362005e-10 1.2635551e-10 3.2371411e-10 ] [ 3.1878572e-10 4.4868985e-10 3.1282335e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0815439 0.3642919 -0.0458327 ] [ -0.2784057 -0.0385161 1e-05 ] [ 0.1568588 0.0096462 0.2287259 ] [ 0.3123245 -0.1388631 0.0523702 ] [ 0.0984308 0.0696619 -0.2702301 ] [ -0.0951827 -0.1739889 -0.0241959 ] [ -0.2755695 -0.0922319 0.0591526 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.306477301488531e-10 5.836599653268115e-10 -7.343208040814017e-11 ] [ -4.460551036374586e-10 -6.170959494439487e-11 1.6021766208e-14 ] [ 2.51315502126743e-10 1.545491611956096e-11 3.664592895514388e-10 ] [ 5.003990120030497e-10 -2.224832123118125e-10 8.390631006662016e-11 ] [ 1.577035265266407e-10 1.116106675405075e-10 -4.32956348456446e-10 ] [ -1.524994966446202e-10 -2.787609478587091e-10 -3.876610529921472e-11 ] [ -4.415110103055456e-10 -1.477717938719635e-10 9.477291277953409e-11 ] ] } "relaxed-potential-energy" { "source-value" -22.404714 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.589630896651045e-18 } }