{ "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" [ [ -3.2856324 -3.3899827 -5.5395139 ] [ -1.3257558 -1.2726521 0.7488197 ] [ 3.9238609 -1.4154307 2.6947099 ] [ -4.1598623 3.1537564 -1.998766 ] [ 2.0551654 1.3053622 -1.5129809 ] [ -0.9290391 -3.6366898 3.6145607 ] [ 3.7212633 5.2556366 1.9931705 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.264163415822994e-09 -5.43135102685646e-09 -8.87527966117663e-09 ] [ -2.124094947650001e-09 -2.039013441032024e-09 1.19974141653447e-09 ] [ 6.286718197251247e-09 -2.267769975902578e-09 4.317401201618306e-09 ] [ -6.664834122807316e-09 5.052874771778373e-09 -3.202376155649933e-09 ] [ 3.29273795575708e-09 2.091420798516054e-09 -2.424062625696943e-09 ] [ -1.488484725829073e-09 -5.826619374661828e-09 5.791164648002483e-09 ] [ 5.962121059101056e-09 8.420458087940801e-09 3.193411176368246e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.232967 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.081461007601791e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5703132 2.5379142 1.2838418 ] [ 0.9352499 2.0269785 2.9696749 ] [ 3.6119605 3.6009098 4.8640852 ] [ 1.5568765 4.1444595 3.781135 ] [ 4.8849833 2.3556652 1.9696848 ] [ 3.2506113 1.5861437 3.5956318 ] [ 3.6638182 4.4161181 2.5413065 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5703132e-10 2.5379142e-10 1.2838418e-10 ] [ 9.352499e-11 2.0269785e-10 2.9696749e-10 ] [ 3.6119605e-10 3.6009098e-10 4.8640852e-10 ] [ 1.5568765e-10 4.1444595e-10 3.781135e-10 ] [ 4.8849833e-10 2.3556652e-10 1.9696848e-10 ] [ 3.2506113e-10 1.5861437e-10 3.5956318e-10 ] [ 3.6638182e-10 4.4161181e-10 2.5413065e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0015597 0.001856 -0.0002209 ] [ -0.0017466 -0.0012946 0.0016794 ] [ 0.0002709 -0.0013933 0.0008509 ] [ -0.0002472 -0.000662 -0.0018202 ] [ -0.0015723 -0.0001496 5.51e-05 ] [ 0.0026193 0.0142065 -0.0042504 ] [ -0.0008838 -0.012563 0.003706 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.49891487546176e-12 2.9736398082048e-12 -3.5392081553472e-13 ] [ -2.79836168588928e-12 -2.07417785328768e-12 2.69069541697152e-12 ] [ 4.340296465747201e-13 -2.23231268576064e-12 1.36329208663872e-12 ] [ -3.9605806066176e-13 -1.0606409229696e-12 -2.91628188518016e-12 ] [ -2.51910230088384e-12 -2.3968562247168e-13 8.827993180608e-14 ] [ 4.19658122286144e-12 2.27613221633952e-11 -6.80989150904832e-12 ] [ -1.41600369746304e-12 -2.01281448871104e-11 5.9376665566848e-12 ] ] } "relaxed-potential-energy" { "source-value" -22.066184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.535392411507103e-18 } }