{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.2981279 8.1598848 -0.7656791 ] [ 6.4388281 -3.9129448 -0.751801 ] [ -0.6159585 0.0674149 0.4131092 ] [ -1.6126256 -6.5287105 -0.7495005 ] [ 7.3050079 -1.7223573 2.4021085 ] [ -0.3623679 1.9270657 0.8908313 ] [ -4.8547561 2.0096472 -1.4390686 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.00907132761882e-08 1.307357665498128e-08 -1.226753153055185e-09 ] [ 1.031613984717008e-08 -6.269228677040932e-09 -1.204517985694061e-09 ] [ -9.868743080830367e-10 1.080105766735699e-10 6.618739020773913e-10 ] [ -2.583711034423573e-09 -1.046014732707148e-08 -1.20083217837791e-09 ] [ 1.17039128721393e-08 -2.759520598724212e-09 3.848602079324957e-09 ] [ -5.805773775083924e-10 3.087499611285586e-09 1.427269081936871e-09 ] [ -7.778176723106187e-09 3.219809759896182e-09 -2.305642066647387e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.006942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.724812486370159e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8204924 3.9353668 3.1521925 ] [ 5.8718279 2.1626282 1.413289 ] [ 3.6447719 1.2239607 0.9127391 ] [ 3.1300052 1.4253682 3.318123 ] [ 5.1701414 2.8674193 3.7444557 ] [ 4.9440587 4.5063841 1.6768893 ] [ 2.8381076 3.5414933 0.6485985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8204924e-10 3.9353668e-10 3.1521925e-10 ] [ 5.871827900000001e-10 2.1626282e-10 1.413289e-10 ] [ 3.6447719e-10 1.2239607e-10 9.127391000000001e-11 ] [ 3.1300052e-10 1.4253682e-10 3.318123e-10 ] [ 5.170141400000001e-10 2.8674193e-10 3.7444557e-10 ] [ 4.944058700000001e-10 4.5063841e-10 1.6768893e-10 ] [ 2.8381076e-10 3.5414933e-10 6.485985e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.19e-05 1.47e-05 2.43e-05 ] [ 8.4e-06 1.14e-05 1.37e-05 ] [ -4.6e-06 1.32e-05 -1.96e-05 ] [ 5.8e-06 5.7e-06 5.8e-06 ] [ 4.2e-06 -7e-07 -2.58e-05 ] [ 2.37e-05 -2.6e-05 -6.3e-06 ] [ 4.3e-06 -1.83e-05 8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.713120041152e-14 2.355199632576e-14 3.893289188544e-14 ] [ 1.345828361472e-14 1.826481347712e-14 2.194981970496e-14 ] [ -7.370012455680001e-15 2.114873139456e-14 -3.140266176767999e-14 ] [ 9.292624400640001e-15 9.13240673856e-15 9.292624400640001e-15 ] [ 6.72914180736e-15 -1.12152363456e-15 -4.133615681664e-14 ] [ 3.797158591296e-14 -4.16565921408e-14 -1.009371271104e-14 ] [ 6.889359469440001e-15 -2.931983216064e-14 1.28174129664e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }