{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.392547 -1.3376123 0.8884434 ] [ -0.5773267 0.913572 -1.1048681 ] [ 4.3989039 -1.4942695 -0.2284147 ] [ 2.6142495 4.2192412 1.2806374 ] [ -4.541351 -0.6334019 -3.7135965 ] [ -2.4955642 -1.8351034 2.8758066 ] [ 0.9936354 0.1675739 0.0019919 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.289296259651775e-10 -2.143091154754516e-09 1.423443244384063e-09 ] [ -9.249793413036153e-10 1.463703699817498e-09 -1.770193838887717e-09 ] [ 7.04782098572594e-09 -2.394083658074506e-09 -3.659606921870458e-10 ] [ 4.188489429838089e-09 6.759969608156137e-09 2.051807302002098e-09 ] [ -7.276046399046701e-09 -1.014821715750299e-09 -5.949837491384707e-09 ] [ -3.998334616945455e-09 -2.940159764230591e-09 4.607550100462337e-09 ] [ 1.591979407479256e-09 2.684829848362771e-10 3.19137561097152e-12 ] ] } "unrelaxed-potential-energy" { "source-value" -11.317297 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.813230866404998e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.255986 2.4099808 4.6554877 ] [ 2.533627 3.3177417 2.5482294 ] [ 5.0411805 1.3660752 2.6545274 ] [ 4.7557177 3.5755521 3.1291695 ] [ 2.8618492 1.291186 1.5381944 ] [ 3.1136305 0.4672998 3.8314686 ] [ 4.1267371 3.5203914 5.312101 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.255986e-10 2.4099808e-10 4.6554877e-10 ] [ 2.533627e-10 3.3177417e-10 2.5482294e-10 ] [ 5.0411805e-10 1.3660752e-10 2.6545274e-10 ] [ 4.7557177e-10 3.5755521e-10 3.129169500000001e-10 ] [ 2.8618492e-10 1.291186e-10 1.5381944e-10 ] [ 3.1136305e-10 4.672998e-11 3.8314686e-10 ] [ 4.1267371e-10 3.5203914e-10 5.312101e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.6e-06 -2.9e-06 3.7e-06 ] [ -1.34e-05 -5.5e-06 -1.47e-05 ] [ 2.2e-05 -7.9e-06 -9.9e-06 ] [ 1.96e-05 1.77e-05 -1.67e-05 ] [ -7.8e-06 8.1e-06 -4.1e-06 ] [ -1.06e-05 -5.5e-06 1.68e-05 ] [ -3.2e-06 -4e-06 2.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.057436569728e-14 -4.646312200320001e-15 5.928053496960001e-15 ] [ -2.146916671872e-14 -8.8119714144e-15 -2.355199632576e-14 ] [ 3.52478856576e-14 -1.265719530432e-14 -1.586154854592e-14 ] [ 3.140266176767999e-14 2.835852618816e-14 -2.675634956736e-14 ] [ -1.249697764224e-14 1.297763062848e-14 -6.568924145279999e-15 ] [ -1.698307218048e-14 -8.8119714144e-15 2.691656722944e-14 ] [ -5.126965186560001e-15 -6.4087064832e-15 3.989419785791999e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.4213 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.310546970154304e-18 } }