{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.631447 1.1205499 -6.9394572 ] [ -5.7291428 -4.6934727 2.8069087 ] [ 6.0268891 3.9094799 0.062354 ] [ 2.3078482 -5.4904572 -0.501819 ] [ 3.2616541 -0.8627464 -0.2453553 ] [ -3.20079 7.0825775 2.6666543 ] [ -0.0350117 -1.065931 2.1507146 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.216042862274298e-09 1.795318852219778e-09 -1.111823608688223e-08 ] [ -9.179098651384649e-09 -7.519772230303053e-09 4.497163495860121e-09 ] [ 9.656140812174354e-09 6.263677295267521e-09 9.99021210133632e-11 ] [ 3.697580430395363e-09 -8.79668216334303e-09 -8.040026696732352e-10 ] [ 5.225745944156464e-09 -1.382272111759365e-09 -3.931025254493702e-10 ] [ -5.128230906090432e-09 1.134754008550411e-08 4.272451175215789e-09 ] [ -5.609492719446336e-11 -1.707809727585965e-09 3.445824650133224e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.945358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.676251614348625e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5506411 2.4793119 1.4276407 ] [ 1.0889848 1.8955011 3.4259147 ] [ 2.023911 4.2363464 3.1427737 ] [ 4.7262684 1.207466 1.5716687 ] [ 3.4774634 1.3230832 3.7630949 ] [ 4.3904923 3.4430682 2.798822 ] [ 3.310864 3.4196133 5.1359084 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5506411e-10 2.4793119e-10 1.4276407e-10 ] [ 1.0889848e-10 1.8955011e-10 3.4259147e-10 ] [ 2.023911e-10 4.236346400000001e-10 3.1427737e-10 ] [ 4.7262684e-10 1.207466e-10 1.5716687e-10 ] [ 3.4774634e-10 1.3230832e-10 3.7630949e-10 ] [ 4.3904923e-10 3.4430682e-10 2.798822e-10 ] [ 3.310864e-10 3.4196133e-10 5.1359084e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.73e-05 -0.0001007 5.74e-05 ] [ -2.9e-05 6.35e-05 3.15e-05 ] [ -8e-07 2.26e-05 1.23e-05 ] [ 0.0001212 -4.64e-05 4e-06 ] [ -7.35e-05 -4.15e-05 -0.0001339 ] [ 9.5e-06 0.0001126 -5.05e-05 ] [ -0.0 -1.01e-05 7.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.373942174784e-14 -1.6133918571456e-13 9.196493803392e-14 ] [ -4.64631220032e-14 1.017382154208e-13 5.04685635552e-14 ] [ -1.28174129664e-15 3.620919163008e-14 1.970677243584e-14 ] [ 1.9418380644096e-13 -7.434099520512001e-14 6.4087064832e-15 ] [ -1.177599816288e-13 -6.64903297632e-14 -2.1453144952512e-13 ] [ 1.52206778976e-14 1.8040508750208e-13 -8.090991935040001e-14 ] [ 0.0 -1.618198387008e-14 1.2705260602944e-13 ] ] } "relaxed-potential-energy" { "source-value" -26.073385 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.177416787211741e-18 } }