{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3962472 -2.0854881 -4.9224174 ] [ -1.0299786 -0.3338949 -0.0352236 ] [ 3.1300125 -1.8443693 2.2309828 ] [ -3.0670338 1.9757962 -1.0971165 ] [ 2.1689356 0.2704673 -0.8942742 ] [ -0.0595625 -2.2876402 3.870833 ] [ 2.253874 4.3051289 0.8472158 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.441387862297462e-09 -3.341320276776613e-09 -7.886582076099121e-09 ] [ -1.650207632844315e-09 -5.349586025843539e-10 -5.643442842041088e-11 ] [ 5.01483285031176e-09 -2.955005372581261e-09 3.574428483566923e-09 ] [ -4.913929849563384e-09 3.165574479105481e-09 -1.757774406593923e-09 ] [ 3.475017910340821e-09 4.333363847508999e-10 -1.432785215824623e-09 ] [ -9.54296449764e-11 -3.665203645242236e-09 6.201758135621127e-09 ] [ 3.61110422902898e-09 6.897576873110421e-09 1.357389347532369e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.178249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.072694217568098e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4191132 2.6159906 0.8864937 ] [ 1.4197294 2.1467695 2.916843 ] [ 3.2418485 3.1973735 5.3952122 ] [ 1.9698469 4.287008 3.8128507 ] [ 4.5484608 2.4010327 2.0799992 ] [ 3.479232 1.4585246 3.9021556 ] [ 3.3955822 4.5614901 2.0118057 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4191132e-10 2.6159906e-10 8.864937000000001e-11 ] [ 1.4197294e-10 2.1467695e-10 2.916843e-10 ] [ 3.2418485e-10 3.1973735e-10 5.3952122e-10 ] [ 1.9698469e-10 4.287008e-10 3.8128507e-10 ] [ 4.5484608e-10 2.4010327e-10 2.0799992e-10 ] [ 3.479232e-10 1.4585246e-10 3.9021556e-10 ] [ 3.3955822e-10 4.561490100000001e-10 2.0118057e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.6e-06 -2.13e-05 2.04e-05 ] [ 1.7e-06 2.68e-05 -2.8e-05 ] [ 3.63e-05 6.7e-06 -7.6e-06 ] [ -1.27e-05 7.3e-06 -1.76e-05 ] [ -4e-06 2.02e-05 3.96e-05 ] [ -2e-06 -2.29e-05 -2.73e-05 ] [ -1.27e-05 -1.69e-05 2.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.057436569728e-14 -3.412636202304e-14 3.268440306432e-14 ] [ 2.72370025536e-15 4.293833343744e-14 -4.48609453824e-14 ] [ 5.815901133504e-14 1.073458335936e-14 -1.217654231808e-14 ] [ -2.034764308416e-14 1.169588933184e-14 -2.819830852608e-14 ] [ -6.4087064832e-15 3.236396774016e-14 6.344619418368e-14 ] [ -3.2043532416e-15 -3.668984461632e-14 -4.373942174784e-14 ] [ -2.034764308416e-14 -2.707678489152e-14 3.28446207264e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }