{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.7972661 -9.6581885 -17.9650603 ] [ -10.7146807 -6.1248492 31.392165 ] [ -24.0848495 10.1717324 0.8756264 ] [ 4.0504914 -52.2583295 1.3946331 ] [ 13.5752932 5.4138544 -26.0290751 ] [ 3.4143887 50.5460459 -3.4056558 ] [ 28.5566229 1.9097346 13.7373666 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.37078337971764e-08 -1.547412381397942e-08 -2.878319960392223e-08 ] [ -1.716681091687698e-08 -9.813090194165583e-09 5.029579283929603e-08 ] [ -3.858818278438657e-08 1.629691184431387e-08 1.402908146635269e-09 ] [ 6.489602623831462e-09 -8.372707376696297e-08 2.234448547413829e-09 ] [ 2.175001738554522e-08 8.673950948095212e-09 -4.170317558626743e-08 ] [ 5.470453749463705e-09 8.09836930148637e-08 -5.456462101251921e-09 ] [ 4.575275357938189e-08 3.059732128052839e-09 2.200968759787878e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 26.601549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.262037988486562e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.034782 1.845789 1.1721148 ] [ 2.822874 2.5351582 4.8312732 ] [ 1.5161431 4.4603513 4.4073407 ] [ 2.1410376 0.9788629 3.1860797 ] [ 4.148616 3.8210431 1.8439507 ] [ 2.4099474 5.3272843 2.3934084 ] [ 4.9274321 3.2079174 3.9902495 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.034782e-10 1.845789e-10 1.1721148e-10 ] [ 2.822874e-10 2.5351582e-10 4.8312732e-10 ] [ 1.5161431e-10 4.4603513e-10 4.4073407e-10 ] [ 2.1410376e-10 9.788629e-11 3.1860797e-10 ] [ 4.148616e-10 3.8210431e-10 1.8439507e-10 ] [ 2.4099474e-10 5.3272843e-10 2.3934084e-10 ] [ 4.9274321e-10 3.2079174e-10 3.9902495e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.37e-05 -2.84e-05 3.24e-05 ] [ 1.76e-05 1.9e-05 -2.12e-05 ] [ 3.11e-05 -1.2e-06 -5.9e-06 ] [ 1.31e-05 4.15e-05 -4.57e-05 ] [ -1.45e-05 3.72e-05 3.23e-05 ] [ 1.2e-06 -5.98e-05 -3.1e-06 ] [ -2.48e-05 -8.3e-06 1.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.797158591296e-14 -4.550181603071999e-14 5.191052251392001e-14 ] [ 2.819830852608e-14 3.04413557952e-14 -3.396614436096001e-14 ] [ 4.982769290688e-14 -1.92261194496e-15 -9.45284206272e-15 ] [ 2.098851373248e-14 6.64903297632e-14 -7.321947157056e-14 ] [ -2.32315610016e-14 5.960097029376001e-14 5.175030485184e-14 ] [ 1.92261194496e-15 -9.581016192383999e-14 -4.96674752448e-15 ] [ -3.973398019584e-14 -1.329806595264e-14 1.794437815296e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }